ChemSpider 2D Image | 4-Methyl-5-{[3-(methylsulfanyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-amine | C7H14N4S2

4-Methyl-5-{[3-(methylsulfanyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-amine

  • Molecular FormulaC7H14N4S2
  • Average mass218.343 Da
  • Monoisotopic mass218.065979 Da
  • ChemSpider ID41706626

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1,2,4-Triazol-3-amine, 4-methyl-5-[[3-(methylthio)propyl]thio]- [ACD/Index Name]
4-Methyl-5-{[3-(methylsulfanyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-amin [German] [ACD/IUPAC Name]
4-Methyl-5-{[3-(methylsulfanyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-amine [ACD/IUPAC Name]
4-Méthyl-5-{[3-(méthylsulfanyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 433.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.8±29.3 °C
Index of Refraction: 1.661
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 165.92
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.01
ACD/KOC (pH 7.4): 167.82
Polar Surface Area: 107 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 161.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement