ChemSpider 2D Image | 4-Methyl-5-sulfanyl-1,2,4-triazolidin-3-ol | C3H9N3OS

4-Methyl-5-sulfanyl-1,2,4-triazolidin-3-ol

  • Molecular FormulaC3H9N3OS
  • Average mass135.188 Da
  • Monoisotopic mass135.046631 Da
  • ChemSpider ID109921962

More details:

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

1,2,4-Triazolidin-3-ol, 5-mercapto-4-methyl- [ACD/Index Name]
4-Methyl-5-sulfanyl-1,2,4-triazolidin-3-ol [German] [ACD/IUPAC Name]
4-Methyl-5-sulfanyl-1,2,4-triazolidin-3-ol [ACD/IUPAC Name]
4-Méthyl-5-sulfanyl-1,2,4-triazolidin-3-ol [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: 242.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 100.5±27.3 °C
Index of Refraction: 1.644
Molar Refractivity: 34.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.20
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.57
Polar Surface Area: 86 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 95.1±5.0 cm3

Click to predict properties on the Chemicalize site


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