ChemSpider 2D Image | 3-Oxo-3-sulfanylpropanoate | C3H3O3S

3-Oxo-3-sulfanylpropanoate

  • Molecular FormulaC3H3O3S
  • Average mass119.120 Da
  • Monoisotopic mass118.980835 Da
  • ChemSpider ID78315833

  • Charge - Charge

More details:

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

3-Oxo-3-sulfanylpropanoat [German] [ACD/IUPAC Name]
3-Oxo-3-sulfanylpropanoate [ACD/IUPAC Name]
3-Oxo-3-sulfanylpropanoate [French] [ACD/IUPAC Name]
Propanoic acid, 3-mercapto-3-oxo-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 302.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.6±6.0 kJ/mol
Flash Point: 136.5±23.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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