ChemSpider 2D Image | S-Methyl amino(oxo)ethanethioate | C3H5NO2S

S-Methyl amino(oxo)ethanethioate

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID32981287

More details:






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

Amino(oxo)éthanethioate de S-méthyle [French] [ACD/IUPAC Name]
Ethanethioic acid, 2-amino-2-oxo-, S-methyl ester [ACD/Index Name]
S-Methyl amino(oxo)ethanethioate [ACD/IUPAC Name]
S-Methyl-amino(oxo)ethanthioat [German] [ACD/IUPAC Name]
85754-57-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 241.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 99.7±22.6 °C
Index of Refraction: 1.524
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.96
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.96
Polar Surface Area: 85 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 89.9±3.0 cm3

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