90871-40-2

Basic information

• Product Name: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine
• Synonyms: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine
• CAS NO: 90871-40-2
• Molecular Formula: C₁₀H₁₂N₄S
• Molecular Weight: 220.29408
• Mol File: 90871-40-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 444.6±38.0 °C(Predicted)
• Appearance: /
• Density: 1.31±0.1 g/cm3(Predicted)
• PKA: 2.44±0.10(Predicted)
• CAS DataBase Reference: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine(90871-40-2)
• EPA Substance Registry System: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine(90871-40-2)

Safety Data

• Hazardous Substances Data: 90871-40-2(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 20939-15-5 3-methyl-4-amino-5-mercapto-1,2,4-triazole 
• 20939-15-5 4-amino-5-methyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 100-44-7 benzyl chloride 

Relevant articles and documents

Small-Molecule APOBEC3G DNA Cytosine Deaminase Inhibitors Based on a 4-Amino-1,2,4-triazole-3-thiol Scaffold

APOBEC3G (A3G) is a single-stranded DNA cytosine deaminase that functions in innate immunity against retroviruses and retrotransposons. Although A3G can potently restrict Vif-deficient HIV-1 replication by catalyzing excessive levels of G→A hypermutation,

Solvation models in the reaction between benzyl bromide and s-triazole

The kinetics of nucleophilic substitution on benzyl bromide by s-triazole has been studied in different pure (protic and aprotic) solvents.The reaction is overall second order, with first order dependence on and the .The rate data is correlated with different solvent parameters using linear multiple regression analysis.From the regression coefficients, information on the solvent-reactant and the solvent-intermediate interactions is obtained and the solvation models are proposed.The reaction has also been studied at different temperatures and the thermodynamic parameters ΔH(excit.), ΔS(excit.) and ΔG(excit.) are computed.