In 2019,Bioorganic Chemistry included an article by Ghannam, Iman A. Y.; Abd El-Meguid, Eman A.; Ali, Islam H.; Sheir, Donia H.; El Kerdawy, Ahmed M.. Computed Properties of C6H6OS. The article was titled 《Novel 2-arylbenzothiazole DNA gyrase inhibitors: Synthesis, antimicrobial evaluation, QSAR and molecular docking studies》. The information in the text is summarized as follows:
A series of new 2-arylbenzothiazole derivatives I [R = EtO, NHNH2, NHN=CHC6H5, etc.] was synthesized and tested for their antimicrobial activity against different Gram-pos., Gram-neg. bacteria and yeast using ciprofloxacin and fluconazole as pos. controls for the antibacterial and antifungal activities, resp. The target compounds I showed stronger inhibitory activity against Gram-neg. than Gram-pos. bacteria. The min. inhibitory concentration (MIC) values were determined for tested compounds I that showed zone of inhibition ≥ 13 mm. Based on the MIC values for the tested compounds against E. coli, compounds I [R = EtO, NHNH2, 3-MeO-4-HOC6H3CH=NNH, 4-FC6H4CH=NNH, 4-NCC6H4CH=NNH, 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylene]hydrazino, 2-[(5-methyl-2-furyl)methylene]hydrazino, 4-HOC6H4C(CH3)=NNH, 3-HOC6H4C(CH3)=NNH, 4-O2NC6H4C(CH3)=NNH, 2-(2-oxoindolin-3-ylidene)hydrazino] were selected and tested for their E. coli gyrase inhibitory activity. The tested compounds I showed moderate inhibitory activity against E. coli gyrase. Compounds I [R = NHNH2, 3-MeO-4-HOC6H3CH=NNH, 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylene]hydrazino, 2-[(5-methyl-2-furyl)methylene]hydrazino, 4-HOC6H4C(CH3)=NNH] displayed high inhibitory activity against E. coli gyrase with IC50 values below 10 μM, however, they were less active than ciprofloxacin (E. coli gyrase IC50 = 1.14 μM). Moreover, compound I [R = 3-MeO-4-HOC6H3CH=NNH] exhibited the highest anti-gyrase activity over other tested compounds I (E. coli gyrase IC50 = 4.85 μM). Quant. structure-activity relationship (QSAR) study was also implemented for the newly synthesized compounds I. The QSAR study indicated that structural feature that governed anti-microbial activity for benzothiazole derivatives I was their structural hydrophilic-lipophilic balance what agreed with chem. intuition where this balance governed their cellular absorption and so their antimicrobial activity. Mol. docking showed that the newly synthesized compounds I possessed required structural feature for E. coli gyrase B inhibition through interaction with key amino acids Asp73 and Gly77. The results came from multiple reactions, including the reaction of 1-Thiophen-2-yl-ethanone(cas: 88-15-3Computed Properties of C6H6OS)
1-Thiophen-2-yl-ethanone(cas: 88-15-3) belongs to thiophenes. Specialized thiophenes can be synthesized similarly using Lawesson’s reagent as the sulfidizing agent, or via the Gewald reaction, which involves the condensation of two esters in the presence of elemental sulfur. Another method is the Volhard–Erdmann cyclization. Computed Properties of C6H6OS
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem