76111-27-8

Basic information

• Product Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-
• CAS NO: 76111-27-8
• Molecular Formula: C16H15N3OS
• Molecular Weight: 297.381
• Mol File: 76111-27-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 198-200 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• Boiling Point: 429.9±47.0 °C(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-(76111-27-8)
• EPA Substance Registry System: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-(76111-27-8)

Safety Data

• Hazardous Substances Data: 76111-27-8(Hazardous Substances Data)

Upstream product

• 28744-15-2 C₁₆H₁₇N₃O₂S 
• 67028-40-4 ethyl (4-methylphenoxy)acetate 
• 940-64-7 2-(4-methylphenoxy)acetic acid 
• 36304-39-9 4-methylphenoxyacetyl hydrazide 
• 103-72-0 phenyl isothiocyanate 

Downstream Products

• 129544-89-4 1-(4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-1H-benzotriazole 
• 874387-21-0 C₂₅H₂₄N₄O₂S 
• 332871-88-2 C₂₄H₂₁ClN₄O₂S 
• 131942-80-8 2-{3-[4-methylphenoxymethyl]-4-phenyl-[1,2,4]triazole-5-thio}acetanilide 
• 131942-81-9 2-(4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-p-tolyl-acetamide 
• 131942-83-1 N-(4-Chloro-phenyl)-2-(4-phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide 
• 1021297-61-9 C₂₅H₂₄N₄O₂S 
• 332872-04-5 C₂₄H₂₁ClN₄O₂S 
• 131942-82-0 N-(4-Methoxy-phenyl)-2-(4-phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide 
• 129544-81-6 3-(3,5-Dimethyl-1H-pyrazol-4-ylsulfanyl)-4-phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole 
• 129544-94-1 1-Phenyl-2-(4-phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone 
• 129545-02-4 3-(4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-pentane-2,4-dione 
• 129545-06-8 2-[(4-Nitro-phenylamino)-methyl]-4-phenyl-5-p-tolyloxymethyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 131142-20-6 (4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester 

Relevant articles and documents

Synthesis, molecular docking and evaluation of library of 3-mercapto-1,2,4-triazole derivatives as antimicrobial agents

Due to the increasing microbial resistance to antibacterial and antifungal drugs, the development of new antimicrobial agents is an urgent priority. In search of newer antimicrobial agents, a series of 4,5-disubstituted-3-mercapto-1,2,4-triazole derivatives were synthesized from aromatic acids and substituted isothiocyanates. The in silico study was performed to study the binding interactions of the synthesized compounds with the active pocket of CYP51. Among the synthesized 3-mercapto-triazole derivatives, compounds 6r, 6s and 6u exhibited promising antimicrobial activity comparable to standard drugs. The results suggested that the structural modification to 3-mercapto-1,2,4-triazole derivatives could lead to promising antimicrobial scaffolds.