ChemSpider 2D Image | 2-Methyl-3-(1H-1,2,4-triazol-1-yl)propanethioamide | C6H10N4S

2-Methyl-3-(1H-1,2,4-triazol-1-yl)propanethioamide

  • Molecular FormulaC6H10N4S
  • Average mass170.235 Da
  • Monoisotopic mass170.062622 Da
  • ChemSpider ID25995720

More details:

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

1H-1,2,4-Triazole-1-propanethioamide, α-methyl- [ACD/Index Name]
2-Methyl-3-(1H-1,2,4-triazol-1-yl)propanethioamide [ACD/IUPAC Name]
2-Méthyl-3-(1H-1,2,4-triazol-1-yl)propanethioamide [French] [ACD/IUPAC Name]
2-Methyl-3-(1H-1,2,4-triazol-1-yl)propanthioamid [German] [ACD/IUPAC Name]
MFCD11653783 [MDL number]
1094692-47-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 351.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 166.1±30.7 °C
Index of Refraction: 1.669
Molar Refractivity: 46.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.35
Polar Surface Area: 89 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 125.3±7.0 cm3

Click to predict properties on the Chemicalize site


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