ChemSpider 2D Image | 2-Oxo-3-sulfanylpropanamide | C3H5NO2S

2-Oxo-3-sulfanylpropanamide

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID28561975

More details:






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

2-Oxo-3-sulfanylpropanamid [German] [ACD/IUPAC Name]
2-Oxo-3-sulfanylpropanamide [ACD/IUPAC Name]
2-Oxo-3-sulfanylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-mercapto-2-oxo- [ACD/Index Name]
869850-55-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 258.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 109.8±27.9 °C
Index of Refraction: 1.522
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.44
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 99 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 90.0±3.0 cm3

Click to predict properties on the Chemicalize site






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