23282-92-0

Basic information

• Product Name: 4-BENZYL-5-(4-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
• Synonyms: 4-(benzyl)-5-(4-chlorophenyl)-2H-1,2,4-triazole-3-thione;5-(4-chlorophenyl)-4-(phenylmethyl)-2H-1,2,4-triazole-3-thione
• CAS NO: 23282-92-0
• Molecular Formula: C₁₅H₁₂ClN₃S
• Molecular Weight: 301.8
• Mol File: 23282-92-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 419.3°Cat760mmHg
• Flash Point: 207.4°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 3.08E-07mmHg at 25°C
• Refractive Index: 1.683
• CAS DataBase Reference: 4-BENZYL-5-(4-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BENZYL-5-(4-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL(23282-92-0)
• EPA Substance Registry System: 4-BENZYL-5-(4-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL(23282-92-0)

Safety Data

• Hazardous Substances Data: 23282-92-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H12ClN3S/c16-13-8-6-12(7-9-13)14-17-18-15(20)19(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)

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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.

4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols

Compounds of formula (I) and pharmaceutically acceptable salts thereof are described in which, n is 0 to 5; X1 to X5 are any accessible combination of hydrogen, halogen, C1 6alkyl, C1 6alkoxy, cyano, nitro, SONH2, SO2NH2, SO2CH3, SO2CH2F, SO2CHF2, SO2CF3, CF3, CHO, OH, CH2OH, CO2H, or CO2CpH2p+1wherein p is 1 to 4; R1 is phenyl substituted by X1 to X5, C1 4alkyl, C3 6cycloalkyl, or an arylC1 4alkyl group substituted by X1 to X5; R2 is hydrogen, C1 4alkyl or (CH2)m-CO2R3; m is 0 to 5; and R3 is H or C1 4alkyl. These compounds are dopamine-β-hydroxylase inhibitors. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of these compounds are described.