ChemSpider 2D Image | 4-Amino-5-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol | C7H14N4S2

4-Amino-5-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC7H14N4S2
  • Average mass218.343 Da
  • Monoisotopic mass218.065979 Da
  • ChemSpider ID81135647

More details:

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

4-Amino-5-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
4-Amino-5-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
4-Amino-5-{[(2-méthyl-2-propanyl)sulfanyl]méthyl}-4H-1,2,4-triazole-3-thiol [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-thiol, 4-amino-5-[[(1,1-dimethylethyl)thio]methyl]- [ACD/Index 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: 383.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.6±28.4 °C
Index of Refraction: 1.666
Molar Refractivity: 59.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 22.11
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 121 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 159.7±7.0 cm3

Click to predict properties on the Chemicalize site


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