Day: November 22, 2022

Synthesis, Characterization, and Properties of Iron(II) Spin-Crossover Molecular Photoswitches Functioning at Room Temperature was written by Moertel, Max;Witt, Alexander;Heinemann, Frank W.;Bochmann, Sebastian;Bachmann, Julien;Khusniyarov, Marat M.. And the article was included in Inorganic Chemistry in 2017.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Spin-crossover mol. switches [Fe^II(H₂B(pz)₂)₂L] (L = novel phenanthroline-based ligands featuring photochromic diarylethene units; pz = 1-pyrazolyl) were synthesized and thoroughly characterized by variable-temperature x-ray crystallog., Mossbauer spectroscopy, and magnetic measurements. The effect of substituents introduced into the phenanthroline backbone (L2) and into the photochromic diarylethene unit (L3) on photophys. properties of metal-free ligands and spin-crossover Fe(II) complexes 2 and 3, resp., were studied. Both ligands and complexes could be switched with light in solution at room temperature The photocyclization of 2 was accompanied by a high-spin to low-spin photoconversion determined at 19%. The closed-ring isomers of L3 and 3 reveal the lifetimes in the range of minutes, whereas those of L2 and 2 are thermally stable for days in solutions at room temperature The reversibility of the photoswitching can be improved by avoiding the photostationary states. Prospective introduction of anchoring groups to the phenanthroline backbone might allow the construction of chemisorbed self-assembled monolayers of spin-crossover species switchable with light at room temperature 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 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 also used in the manufacturing of dyes such as thioindigo.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Evaluation of the thermal properties of diesel oil with low sulfur content was written by Peixoto, Camila G. D.;Fernandes, Valter J. Jr.;Coriolano, Ana C. F.;Araujo, Renkel R.;Fernandes, Glauber J. T.;Araujo, Antonio S.. And the article was included in Journal of Thermal Analysis and Calorimetry in 2018.Name: 2,5-Dimethylthiophene The following contents are mentioned in the article:

The presence of sulfur in diesel causes environmental pollution and corrosion of engines. In order to minimize the consequences of this pollutant, Brazilian laws established the maximum of sulfur content that diesel fuel may contain. To meet these requirements, diesel with a maximum sulfur concentration equal to 10 mg kg^-1 (diesel S10) has been widely marketed in the country. The reduction in sulfur leads to changes in the physicochem. properties of the fuel, which are essential for the performance of road vehicles. This work aims to evaluate the reduction in the sulfur content in diesel fuel using thermogravimetry. Samples of diesel types S10, S500 and S1800, corresponding to 10, 500 and 1800 mg kg^-1 of sulfur content, resp., were tested according to ASTM methods for sp. gr., flash point and sulfur content. Then, these fuels were characterized by thermogravimetry from room temperature up to 500 °C, in helium flow, at heating rates of 5, 10 and 20 °C min^-1. TG and DTG data showed a typical mass loss at ca. 40-320 °C, due to volatilization or distillation of light and medium hydrocarbons. Based on these data, the kinetic behavior of the samples was analyzed and the activation energies (E_a) for decomposition of the samples decreased in the order: S1800 > S500 > S10. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Name: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Name: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Bitter or not BitterPredict, a tool for predicting taste from chemical structure was written by Dagan-Wiener, Ayana;Nissim, Ido;Ben Abu, Natalie;Borgonovo, Gigliola;Bassoli, Angela;Niv, Masha Y.. And the article was included in Scientific Reports in 2017.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Bitter taste is an innately aversive taste modality that is considered to protect animals from consuming toxic compounds Yet, bitterness is not always noxious and some bitter compounds have beneficial effects on health. Hundreds of bitter compounds were reported (and are accessible via the BitterDB http://bitterdb.agri.huji.ac.il/dbbitter.php), but numerous addnl. bitter mols. are still unknown. The dramatic chem. diversity of bitterants makes bitterness prediction a difficult task. Here we present a machine learning classifier, BitterPredict, which predicts whether a compound is bitter or not, based on its chem. structure. BitterDB was used as the pos. set, and non-bitter mols. were gathered from literature to create the neg. set. Adaptive Boosting (AdaBoost), based on decision trees machine-learning algorithm was applied to mols. that were represented using physicochem. and ADME/Tox descriptors. BitterPredict correctly classifies over 80% of the compounds in the hold-out test set, and 70-90% of the compounds in three independent external sets and in sensory test validation, providing a quick and reliable tool for classifying large sets of compounds into bitter and non-bitter groups. BitterPredict suggests that about 40% of random mols., and a large portion (66%) of clin. and exptl. drugs, and of natural products (77%) are bitter. 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 is relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Time-of-flight secondary ion mass spectrometry and gas chromatography-mass spectrometry studies of alkanethiol self-assembled monolayers on nanoporous gold surfaces was written by Hafez, Aly M.;Hua, Quoc Trung;Adam, Mohamed Shaker S.. And the article was included in Surface and Interface Analysis in 2021.Computed Properties of C6H8S The following contents are mentioned in the article:

The dimerization of alkanethiol mixtures (hexanethiol, octanethiol, and dodecanethiol) to form self-assembled monolayers (SAMs) from headspace on nanoporous gold surfaces was studied for the first time using gas chromatog. (GC/MS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The nanoporous gold surfaces were obtained by an acidic etching of a 585-gold alloy. Field emission SEM (FE-SEM) was utilized to study the change of the surface geometry and porosity of the gold surfaces before and after etching. Alkanethiols were deposited from the vapor phase above the thiol solutions (headspace) on nanoporous gold plates and nanoporous gold solid-phase vmicroextn. (SPME) fibers. The nanoporous gold substrates were analyzed by TOF-SIMS and GC/MS, resp. The TOF-SIMS spectra exhibited various gold-sulfur ion clusters and specific peaks related to the adsorption of thiols such as deprotonated monomers, thiolate-Au, dimers (e.g., dialkyl sulfides-Au and dialkyl disulfides-Au). The GC/MS anal. of headspace extractions of alkanethiol mixtures by nanoporous gold SPME fibers showed a high extraction efficiency of alkanethiol, dialkyl sulfide, and dialkyl disulfide when compared with the com. SPME fibers (DVB-CAR-PDMS and CAR-PDMS). Different GC/MS optimization factors were studied including the extraction time and desorption temperature This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Computed Properties of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Preparation of Novel and Highly Stable Py/MOF and Its Adsorptive Desulfurization Performance was written by Song, Hua;Li, Xiaojuan;Jiang, Bolong;Gong, Mingyue;Hao, Tianzhen. And the article was included in Industrial & Engineering Chemistry Research in 2019.Computed Properties of C6H8S The following contents are mentioned in the article:

A highly active and stable MOF-199-supported ionic liquid [Hnmp][H₂PO₄] (IL-NP) adsorbent (Py/MOF) was successfully synthesized and characterized via XRD, SEM and TEM, TG-DTG, FT-IR, BET, and XPS technologies. The effects of different sulfides and interfering components present in model oils on the adsorptive desulfurization (ADS) performance of Py/MOF were studied. The results show that the regular octahedron crystalline structure of MOF-199 was well preserved and IL-NP fixed on the surface of MOF-199 presented like a flower after grafting ionic liquid IL-NP. The Py/MOF showed highly ordered canals, which are larger than those of MOF-199. Upon introducing IL-NP to MOF-199, the ADS activities were improved, which can be attributed to the improved intimate contact between sulfur compounds and adsorbent, the addnl. adsorption acidic sites for slightly basic sulfur compounds, and the increased pore size with mesoporous pores appearing. The ADS activity of Py/MOF adsorbing different sulfides was in the order of DBT > BT > 3-MTP > TP > 2,5-DMTP, and the effect of interfering component on ADS performance of Py/MOF was in the order of cyclohexene > toluene > water > ethanol. After 4 times of regeneration, the DBT removal onto Py/MOF was still at 93.8%, which decreased by 4.9% as compared to that of the fresh adsorbent. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Computed Properties of C6H8S).

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.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Heisenberg Spin Chains via Chalcogen Bonding: Noncovalent S···O Contacts Enable Long-Range Magnetic Order was written by Mayo, R. Alex;Morgan, Ian S.;Soldatov, Dmitriy V.;Clerac, Rodolphe;Preuss, Kathryn E.. And the article was included in Inorganic Chemistry in 2021.Reference of 638-02-8 The following contents are mentioned in the article:

The new radical ligand 5,8-dimethyl-1,4-dioxonaphtho[2,3-d][1,2,3]dithiazolyl (1) is reported. Two crystal polymorphs, 1α and 1β, differing in their pancake-bonded dimerization motif and S···O contact network, are identified. The self-assembly of Mn(II) metal ions with 1 gives [Mn(hfac)₂]₃(1)₂ that exhibits a Mn(II)-radical-Mn(II)-radical-Mn(II) linear arrangement of three Mn(hfac)₂ units bridged by two radical ligands (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonato-). Characterization by single-crystal x-ray diffraction of this Mn(II) complex packing structure reveals close noncovalent S···O contacts between the [Mn(hfac)₂]₃(1)₂ units in one dimension along the b-c direction. The magnetic properties of the coordination complex were characterized by d.c. and a.c. susceptibility measurements on a microcrystalline solid. The magnetic data down to 4.8 K indicate effective ferromagnetic interactions (J/k_B = +0.16 K) between the mol. S_T = 13/2 units along the supramol. chain involving noncovalent S···O contacts. Below 2.9 K, a nonzero out-of-phase component appears in the a.c. susceptibility, indicating the presence of a three-dimensional magnetic phase transition. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Reference of 638-02-8).

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. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Identification and Categorization of Volatile Sulfur Flavor Compounds in Roasted Malts and Barley was written by Parr, Hebe;Bolat, Irina;Cook, David. And the article was included in Journal of the American Society of Brewing Chemists.SDS of cas: 638-02-8 The following contents are mentioned in the article:

We report for the first time the application of HS-SPME-GC coupled with sulfur-specific pulsed flame photometric detection to sensitively analyze the volatile sulfur compounds (VSC′s) present in drum roasted malt and barley samples typically used in brewing. Twenty-five VSC′s were identified across a range of 9 roasted products produced from barley/malt. Thiophenes (n = 10) were a major class of heterocyclic sulfur compounds identified, along with thiazoles (n = 4), and thiofurans (n = 2). Quant. (n = 18) and semi-quant. (n = 6) data are reported for VSC′s across this product range. Principal Component Anal. (PCA) of data clearly identified (PC1) that heterocyclic sulfur compounds were formed in products processed at high temperatures (>170 °C) under dry conditions (roasted barley, chocolate and black malts). Whereas compounds such as Me dithiolane and Me Pr sulfide were associated primarily with lower temperature finished products (crystal, amber and cara malts). Pathways for the generation of observed VSC′s are considered alongside typical roasting conditions employed in the manufacture of these products. Concentrations of VSC′s identified will certainly contribute characteristic aromas to the roasted products themselves. The transfer of VSC′s from the grist into finished beer, and their sensory impact in a range of beer styles, remains to be determined This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8SDS of cas: 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.SDS of cas: 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Meat flavor generation from different composition patterns of initial Maillard stage intermediates formed in heated cysteine-xylose-glycine reaction systems was written by Zhao, Jian;Wang, Tianze;Xie, Jianchun;Xiao, Qunfei;Du, Wenbin;Wang, Yaxin;Cheng, Jie;Wang, Shi. And the article was included in Food Chemistry in 2019.Product Details of 638-02-8 The following contents are mentioned in the article:

Volatile compounds formed in model reactions involving synthesized initial Maillard intermediates Gly-Amadori and [¹³C₅]-2-threityl-thiazolidine-4-carboxylic acids ([¹³C₅]-TTCA) in different molar ratios and free cysteine and glycine were investigated by solid-phase microextraction/gas chromatog.-mass spectrometry and gas chromatog.-olfactometry. The 1:1 ratio composition pattern provided the highest yields of all the sulfur-containing compounds, the potent meaty flavors or their ¹³C-labeled/unlabeled fractions, indicating a moderate level of glycine relative to cysteine was optimum for maximally yielding meaty flavors in complex meat-like Maillard systems containing cysteine as well as glycine. In addition, the 1:1 ratio composition led to formation of ¹³C-labeled mols. of some key meaty flavors e.g. 2-furanthiol representing over 70%, indicating TTCA/glycine reaction was better than Gly-Amadori/cysteine to yield meaty flavors. Formation pathways of twenty-nine flavors were elucidated based on the detected isotope distribution patterns. In particular, 2-methyltetrahydrothiophen-3-one, 3-thiophenethiol, 2-ethylthiophene, 2,5-dimethylthiophene, and 5-methylthiophene-2-carboxaldehyde involved a new formation pathway. Thiophene-2-carboxaldehyde and 2-methylthieno[3,2-b]thiophene showed two formation pathways. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Product Details of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is also used in the manufacturing of dyes such as thioindigo.Product Details of 638-02-8

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

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