ChemSpider 2D Image | S-Methyl oxoethanethioate | C3H4O2S

S-Methyl oxoethanethioate

  • Molecular FormulaC3H4O2S
  • Average mass104.128 Da
  • Monoisotopic mass103.993202 Da
  • ChemSpider ID60821199

More details:

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

Ethanethioic acid, 2-oxo-, S-methyl ester [ACD/Index Name]
Oxoéthanethioate de S-méthyle [French] [ACD/IUPAC Name]
S-Methyl oxoethanethioate [ACD/IUPAC Name]
S-Methyl-oxoethanthioat [German] [ACD/IUPAC Name]
1824160-15-7 [RN]
MFCD24682410

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

Density: 1.2±0.1 g/cm3
Boiling Point: 175.2±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 72.1±12.7 °C
Index of Refraction: 1.471
Molar Refractivity: 24.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.26
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.26
Polar Surface Area: 59 Å2
Polarizability: 9.6±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 86.5±3.0 cm3

Click to predict properties on the Chemicalize site


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