1246010-99-0

Basic information

• Product Name: 4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
• Synonyms: 4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
• CAS NO: 1246010-99-0
• Molecular Weight: 271.343
• Mol File: 1246010-99-0.mol

Chemical Properties

• CAS DataBase Reference: 4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione(1246010-99-0)
• EPA Substance Registry System: 4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione(1246010-99-0)

Safety Data

• Hazardous Substances Data: 1246010-99-0(Hazardous Substances Data)

Upstream product

• 622-59-3 1-isothiocyanato-4-methylbenzene 
• 315672-60-7 2-methyl-furan-3-carboxylic acid hydrazide 
• 891085-13-5 C₁₄H₁₅N₃O₂S 

Relevant articles and documents

A search for dual action HIV-1 reverse transcriptase, bacterial RNA polymerase inhibitors

Using molecular modeling approach, potential antibacterial agents with triazole core were proposed. A moderate to weak level of antibacterial activity in most of the compounds have been observed, with best minimal inhibitory concentration (MIC) value of 0

Searching for novel scaffold of triazole non-nucleoside inhibitors of HIV-1 reverse transcriptase

Azoles are a promising class of the new generation of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). From thousands of reported compounds, many possess the same basic structure of an aryl substituted azole ring linked by a thioglycolamide chain with another aromatic ring. In order to find novel extensions for this basic scaffold, we explored the 5-position substitution pattern of triazole NNRTIs using molecular docking followed by the synthesis of selected compounds. We found that heterocyclic substituents in the 5-position of the triazole ring are detrimental to the inhibitory activity of compounds with four-membered thioglycolamide linker and this substitution seems to be viable only for compounds with shorter two-membered linker. Promising compound, N-(4-carboxy-2-chlorophenyl)-2-((4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetamide, with potent inhibitory activity and acceptable aqueous solubility has been identified in this study that could serve as lead scaffold for the development of novel water-soluble salts of triazole NNRTIs.

Antimicrobial properties of 4-Aryl-3-(2-methyl-furan-3-yl) δ2-1,2,4-triazoline-5-thiones

Four 4-aryl-3-(2-methyl-furan-3-yl)- δ2-1,2,4-triazole-5- thiones were synthesized by intramolecular cyclization of 4-aryl-1-[(2-methyl- furan-3-yl)carbonyl]thiosemicarbazides in alkaline medium. The antimicrobial activity of the synthesized tr