Category: 638-02-8

Insights into the HDS/HYDO selectivity with considering stacking effect of Co-MoS₂ catalysts by combined DFT and microkinetic method was written by Zheng, Meng;Zhao, Liang;Cao, Liyuan;Zhang, Yuhao;Gao, Jinsen;Xu, Chunming. And the article was included in Fuel in 2021.Application In Synthesis of 2,5-Dimethylthiophene The following contents are mentioned in the article:

To investigate the desulfurization/olefin hydrogenation (HDS/HYDO) selectivity for thiophenic compounds, the adsorptions and reactions of thiophenic compounds including 2-methythiophene (2-MT), 3-methylthiophene (3-MT), 2,5-dimethylthiophene (2,5-DMT), 3,4-dimethylthiophene (3,4-DMT), and benzothiophene (BT) are calculated based on d. functional theory (DFT). The ionization energy is found linearly related to the adsorption energy which could prove that the thiophenic compounds are NOT sterically hindered by stacking layers of Co-MoS₂ catalysts, therefore the monolayer Co-MoS₂ catalysts could be reasonably applied to study thiophenic compounds HDS process. Both the results of adsorption energies and Gibbs free energy variations suggest that there are stronger adsorptions for thiophenic compounds than 1-hexene. Microkinetic studies considering the whole HDS process declare: (1) the sulfur vacancy over S edge of Co-MoS₂ catalysts also has high HDS/HYDO selectivity for thiophenic compounds and 1-hexene; (2) the DDS pathways are more feasible than HYD pathways for thiophenic compounds; (3) the reactivity is determined as T/2-MT/3-MT > 2,5-DMT/3,4-DMT/BT. Hence, the comprehensive investigation help to deeply understand the performance of the sulfur vacancy over the S edge of Co-MoS₂ catalysts in the actual situation, which has significance to design the high HDS/HYDO selectivity catalysts. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application In Synthesis of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Application In Synthesis of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

In-vitro evaluation of the antioxidant and anti-inflammatory activity of volatile compounds and minerals in five different onion varieties was written by Sami, Rokayya;Elhakem, Abeer;Alharbi, Mona;Almatrafi, Manal;Benajiba, Nada;Mohamed, Taha Ahmed;Fikry, Mohammad;Helal, Mahmoud. And the article was included in Separations in 2021.Formula: C6H8S The following contents are mentioned in the article:

Onions contain high antioxidants compounds that fight inflammation against many diseases. The purpose was to investigate some selected bioactive activities of onion varieties (Yellow, Red, Green, Leek, and Baby). Antioxidant assays and anti-inflammatory activities such as NO production with the addition of some bioactive components were determined and analyzed by using a spectrophotometer. Gas chromatog. and mass spectrometry (GC-MS) was used for the volatile compounds, while an Atomic absorption spectrometer was used for mineral determinations Red variety achieved the highest antioxidant activities. The total flavonoids were between (12.56 and 353.53 mg Quercetin/gin dry weight) (dw) and the total phenol was (8.75-25.73 mg/g dw). Leek, Yellow and Green extracts achieved highly anti-inflammatory values (3.71-4.01 μg/mL) followed by Red and Baby extracts, resp. The highest contents of sodium, potassium, zinc, and calcium were established for Red onions. Furfuraldehyde, 5-Methyl-2-furfuraldehyde, 2-Methyl-2-pentenal, and 1-Propanethiol were the most predominant, followed by a minor abundance of the other compounds such as Di-Me sulfide, Me allyl disulfide, Methyl-trans-propenyl-disulfide, and Me Pr disulfide. The results recommend that these varieties could act as sources of essential antioxidants and anti-inflammatories to decrease inflammation and oxidative stresses, especially red onions that recorded high activities. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Formula: C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches was written by Oruganti, Baswanth;Pal Kalapos, Peter;Bhargav, Varada;London, Gabor;Durbeej, Bo. And the article was included in Journal of the American Chemical Society in 2020.Electric Literature of C6H8S The following contents are mentioned in the article:

The concepts of excited-state aromaticity and antiaromaticity have in recent years been invoked to rationalize the photochem. of cyclic conjugated organic compounds, with the long-term goal of using these concepts to improve the reactivities of such compounds toward different photochem. transformations. It is of particular interest to assess how the presence of a benzene motif affects photochem. reactivity, as benzene is well-known to completely change its aromatic character in its lowest excited states. Here, we investigate how a benzene motif influences the photoinduced electrocyclization of dithienylethenes, a major class of mol. switches. Specifically, we report on the synthesis of a dithienylbenzene switch where the typical nonaromatic, ethene-like motif bridging the two thienyl units is replaced by a benzene motif, and show that this compound undergoes electrocyclization upon irradiation with UV-light. Furthermore, through a detailed quantum chem. anal., we demonstrate that the electrocyclization is driven jointly and synergistically by the loss of aromaticity in this motif from the formation of a reactive, antiarom. excited state during the initial photoexcitation, and by the subsequent relief of this antiaromaticity as the reaction progresses from the Franck-Condon region. Overall, we conclude that photoinduced changes in aromaticity facilitate the electrocyclization of dithienylbenzene switches. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Electric Literature of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Novel Sulfur-Containing Cross-Linking Agent for Si-Based Preceramic Polymers was written by Taheri, Poroshat;Bokka, Apparao;Asgari, Parham;Jeon, Junha;Lang, John C.;Campostrini, Renzo;Soraru, Gian Domenico;Kroll, Peter. And the article was included in Macromolecular Chemistry and Physics in 2020.Electric Literature of C6H8S The following contents are mentioned in the article:

Crosslinking polymethylhydrosiloxane (PMHS) with divinylthiophene (DVT) via hydrosilylation in highly dilute conditions and subsequent supercritical drying in CO₂ yield a polymeric aerogel containing aromatic sulfur integrally and uniformly distributed throughout the monolith. Fourier-transform IR (FT-IR) spectroscopy indicates almost complete consumption of vinyl groups and Si-H bonds in the product. Both FT-IR and Raman spectroscopic analyses support loss of conjugation of vinyl groups with the retained double bonds of the thiophene ring. SEM indicates a condensed colloidal structure with characteristic particulate diameters of about 165 nm. SEM coupled with energy dispersive X-ray spectroscopy elemental mapping shows that sulfur is distributed homogeneously in the polymeric aerogel. Porosimetry of the mesoporous aerogel indicates the effective average pore diameters are about 12 nm. Thermogravimetric anal. (TGA) establishes greater thermal stability of the PMHS-DVT product than either of the pure unreacted components. TGA coupled with mass spectrometric (TG-MS) identification of the volatiles released during pyrolysis shows that sulfur is driven from the crosslinked polymer as thiophene and its derivatives Recorded mass spectra support the hypothesis that crosslinking DVT bridges between PMHS chains in the polymeric aerogel, and that this results in a more thermally stable monolith. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Electric Literature of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. It is also used in the manufacturing of dyes such as thioindigo.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

A fluidizable Zn-offretite for selective thiophenic species adsorption. Additive performance under FCC conditions was written by Aponte, Yira;Che-Galicia, Gamaliel;de Lasa, Hugo. And the article was included in Fuel in 2016.Application of 638-02-8 The following contents are mentioned in the article:

This study evaluates a new Zn-OFF additive (3.5 weight% of Zn in an offretite zeolite) to reduce sulfur in gasoline range hydrocarbons. The additive is contacted with Thiophene (Th), 2-methyl-thiophene (2MTh) and 2,5-dimethyl-thiophene (25DMTh) which are used to represent sulfur species. These species are concurrently fed with 1,3,5 trimethylbenzene (TMB) into a CREC Fluidized Reactor Simulator. Selected temperatures, partial pressures, reaction times and C/Os (catalyst/oil) are representative of operating conditions in FCC industrial units. It is proven that the Zn-OFF additive displays an excellent performance for 2MTh selective adsorption. The best sulfur removal using the Zn-OFF additive was found using the 2MTh at 530 °C and 5 s. It is hypothesized that the selective sulfur adsorption on the Zn-OFF additive involves dominant Lewis acid sites. On the basis of the results reported, it is anticipated that the Zn-OFF additive can provide a valuable “in situ” sulfur selective adsorption for the thiophene compounds It is also found that the used Zn-OFF additive while blended with a FCC com. catalyst mixture reduces coke production, in particular sulfur in coke. It is thus, demonstrated that under typical FCC unit operating conditions, the Zn-OFF additive can decrease sulfur in coke with this leading to a mitigation of SO_x emissions in the FCC regenerator, where coke is combusted. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Application of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Rubber pyrolysis: Kinetic modeling and vulcanization effects was written by Liu, Sheng;Yu, Jie;Bikane, Kagiso;Chen, Tao;Ma, Chuan;Wang, Ben;Sun, Lushi. And the article was included in Energy (Oxford, United Kingdom) in 2018.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Kinetic studies and the effect of the vulcanization process on the pyrolysis of natural rubber (NR), butadiene rubber (BR) and styrene-butadiene rubber (SBR) were investigated in this work. The DAEM showed a better fitting of the exptl. results than the model-based method. The activation energy distribution of the DAEM verified by the model-free method indicated that the main decomposition of rubbers followed a chain reaction mechanism. Pyrolysis of raw rubbers and their corresponding vulcanized rubbers were conducted in a fixed-bed reactor. The sulfur content and product yields were quantified. Pyrolysis oils were characterized and compared. The oil yields reached a maximum at 430°C for NR (90.82%), 470°C for both BR (90.61%) and SBR (92.80%). Pyrolytic oils of raw rubbers were mainly composed of their corresponding monomer or dimer, trimer compounds However, the results of vulcanized rubbers pyrolysis were significantly different. Sulfur in the vulcanized rubbers was released at low temperatures due to the lower bond energy. Higher temperatures led to the conversion of sulfur-containing oils to gaseous compounds Vulcanization promoted the decomposition of rubbers at low temperatures but had an insignificant influence on pyrolysis products distribution at high temperature Pyrolysis oils of vulcanized rubbers were more complex, constituting various aromatic hydrocarbons and thiophenes. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Determination of highly volatile compounds in fresh onion (Allium cepa L.) by room-temperature enrichment headspace-trap coupled to cryotrapping GC-MS was written by Liu, Mengpan;Su, Yue;Guo, Yinlong. And the article was included in Separation Science plus in 2018.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Conventional headspace-based anal. is not suitable for identifying volatile compounds in fresh onion (Allium cepa L.) because large amounts of water vapor could affect the determination of target compounds A headspace-trap was introduced to remove water vapor and keep the analytes in the trap tube. Addnl., the headspace-trap method based on room-temperature enrichment could prevent enzyme-sensitive samples from denaturing to maintain the original flavor compositions of the samples. Moreover, the highly volatile compounds were poorly separated after headspace extraction By using a cryotrapping device, these compounds were well separated Therefore, a room-temperature enrichment headspace-trap cryotrapping gas chromatog. with mass spectrometric method was established for the determination of volatile compounds in fresh onion. With this method, a total of 73 volatile compounds were identified by mass spectral search and retention index. Among them, 29 highly volatile compounds were successfully separated before the retention time of 5 min, and these compounds contributed significantly to the smell of onion. The volatile compounds were dominated by di-Pr disulfide (35.42%), 1,2-dithiolane (15.82%), 1-propanethiol (11.74%) and propanal (11.23%). The results indicated that the proposed method was an effective tool for analyzing volatile compounds in high-water-content fresh onion samples. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. It is also used in the manufacturing of dyes such as thioindigo.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Efficacy of some conventional fungicides and essential oils against tomato early blight disease was written by Abdel-Aty, Ahmed S.;Abdallah, Elsayed A. M.;Kaduos, Ezzat A.;Gad, Mohamed R. A.. And the article was included in World Journal of Advanced Research and Reviews in 2021.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Fungicidal activity of nine selected conventional fungicides, identified five plant oils and their combined effect against A. solani, the causal pathogen of early blight on tomato. GC-MS anal. of the tested oils indicated that terpene hydrocarbons (97%) with cinnamaldehyde as the major compound; sulfur compounds; fatty acids and organo-sulfur-containing compounds were the main components in cinnamon, garlic, mustard and onion oils, resp. In vitro, Speedcide (difenoconazole) and Cabrioduo (Dimethomorph + Pyraclostrobin) were the most effective against the A. solani fungus with EC50 values of 94.6 and 88.6 ppm resp. Toledo (Tebuconzole) achieved EC50 value of 631.2 ppm. Roxyl-M was significantly more effective than Roxyl-plus or Remik. Speedcide alone or mixed with mandipropamid or azoxystrobin in Revus-Top or Cruze were the lowest effective in vitro. Garlic and mustard oils were more effective in liquid media than solid one. Cinnamon, onion, garlic and bitter almond oils caused moderate fungi-toxicity against early blight pathogen and could be implemented in the IPM program. Lower EC50 values were obtained in case of combinations of fungicides with oils than sep. treatments. Effect of the active conventional fungicides and plant oils on disease indexes, relative disease control, chlorophyll content, sugar contents and poly phenol oxidase in tomato plants was also studied. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Experimental and theoretical study on the formation of volatile sulfur compounds under gas reservoir conditions was written by Meshoulam, Alexander;Said-Ahmad, Ward;Turich, Courtney;Luu, Nathalie;Jacksier, Tracey;Shurki, Avital;Amrani, Alon. And the article was included in Organic Geochemistry in 2021.Quality Control of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Volatile organic sulfur compounds (VOSC) are found in petroleum natural gas and condensates at trace levels. The abundance and δ34S values of VOSC were proposed as a proxy for thermal processes such as oil and gas generation during thermal maturation, thermochem. and microbial sulfate reduction, migration and expulsion. The understanding of VOSC formation and degradation mechanisms is needed to refine the use of δ ³⁴S values of VOSC as proxies for thermal processes over geol. timescales in the subsurface. We therefore conducted pyrolysis experiments at 360 °C for 4, 12 and 72 h using pentane and H₂S or pentanethiol as model compounds to study the formation and degradation pathways of VOSC and associated variations in δ ³⁴S values. The main products of these experiments are C₁-C₄ alkanes along with a variety of thiols and thiophenes, the most dominant VOSC formed. Most thiols were in equilibrium with H₂S after 4 h based on their δ ³⁴S values. Thiophenes were first 34S depleted relative to H₂S and only reached equilibrium at the 72 h experiment The products and 34S fractionations in the pyrolysis experiment of pentanethiol at 360 ° C and 12 h were similar to those of the experiment with H₂S and pentane at the same conditions. This similarity suggests that pentanethiol is an intermediate product in the formation of aromatic VOSC during pyrolysis of pentane and H₂S. Benzo- and dibenzothiophenes (BTs and DBTs) were formed in the liquid phase and their 34S depleted values relative to H₂S indicated that they had not reached equilibrium Ab-initio calculations of the thermodn. properties of thiols, thiolanes, thiophenes BTs and DBTs were used to explain the relative abundance of products in the system and predict their abundance and S isotopic signature at reservoir conditions. The thermodn. data suggests that at equilibrium, only small quantities of thiols and even smaller quantities of thiolanes can exist under our exptl. conditions. Unlike thiols, the free energy of formation of thiophenes, BTs and DBTs is neg. under these conditions indicating that the formation of these compounds is thermodynamically favored. The result suggests that the δ 34S values of thiols are controlled by a very rapid equilibrium isotopic effect (EIE). On the other hand, aromatic sulfur compounds can preserve the δ34S value of the kinetic isotopic effect (KIE) associated with their formation for longer. However, under typical petroleum reservoir conditions, the formation of aromatic VOSC in the gas phase from short alkanes (<C5) and H₂S is not thermodynamically preferred and thus their presence is expected to be either as kinetic products or due to influx and charge from a different source where the reactions were thermodynamically favorable. Thus, the abundance and Δ ³⁴S between H₂S and VOSC can be used as a new approach to evaluate charge history within sulfur containing reservoirs. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Quality Control of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Quality Control of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Study of thermal maturation processes of sulfur-rich source rock using compound specific sulfur isotope analysis was written by Rosenberg, Yoav O.;Meshoulam, Alexander;Said-Ahmad, Ward;Shawar, Lubna;Dror, Guy;Reznik, Itay J.;Feinstein, Shimon;Amrani, Alon. And the article was included in Organic Geochemistry in 2017.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Semi-open pyrolysis experiments were conducted on a thermally immature, organic and sulfur-rich source rock (Ghareb Formation, Israel). Structural and sulfur isotope ratio (³⁴S/³²S) changes in specific organic sulfur compounds were studied along with bulk sulfur phases (H₂S, kerogen, oil) during thermal maturation and oil formation. Oil, gas and rock samples were collected sequentially at several points along the maturation path and were analyzed. In addition, four natural crude oils from Israel were analyzed and the results were compared to the pyrolytic oils.The results showed relatively large δ³⁴S variability (∼10‰) of the organic sulfur compounds (OSCs) in the bitumen of the unheated rock and first pyrolytic oil. This variability was probably a remnant of the original sulfur isotopic signature acquired during the sulfurization of the organic matter in the early diagenetic process. At later stages of thermal maturation, the variability of the sulfur isotopic values in the kerogen gradually decreased to ∼2‰. Three mechanisms were suggested to explain the structural changes and isotopic fractionations of OSCs in the kerogen and generated oils: (A) Cleavage of weak S-S and C-S bonds leading to the release of large amounts of H₂S and to cyclization of the precursors in the kerogen with small fractionations. Thus, the OSCs released by this mechanism preserved their distinct δ³⁴S values. (B) Re-reaction of the released S species with hydrocarbons and generation of new OSCs within the kerogen (or bitumen) matrix. (C) Cleavage of stronger C-C bonds and transformation of OSCs to create more stable compounds (e.g. dibenzothiophenes) from multiple sulfur sources. Mechanisms (B) and (C) homogenized the δ³⁴S values of the different OSCs which reflected that of the bulk kerogen.The bulk organic sulfur phases (bitumen, oil, kerogen) were ³⁴S enriched by < 1‰ despite large amounts of ³⁴S-depleted H₂S (53% of total S) that was released continuously (“open system”). Therefore, the preferential loss of H₂S during thermal maturation may not be responsible to the ³⁴S enrichment of oils as reported in some petroleum basins. The overall outcome of the maturation process yields OSCs with δ³⁴S values that closely reflect the kerogen and can be used as a fingerprint for oil-oil and oil-source rock correlation over wide ranges of thermal maturity. The applicability of such correlation is demonstrated by the very good correlation of δ³⁴S values of specific OSCs between artificial and natural oil samples. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem