ChemSpider 2D Image | 2-Oxo-3-sulfanylbutanoic acid | C4H6O3S

2-Oxo-3-sulfanylbutanoic acid

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID32992042

More details:

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

2-Oxo-3-sulfanylbutanoic acid [ACD/IUPAC Name]
2-Oxo-3-sulfanylbutansäure [German] [ACD/IUPAC Name]
Acide 2-oxo-3-sulfanylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-mercapto-2-oxo- [ACD/Index Name]
85321-11-5 [RN]
MFCD19230177

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

Density: 1.3±0.1 g/cm3
Boiling Point: 221.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.4±6.0 kJ/mol
Flash Point: 87.5±22.6 °C
Index of Refraction: 1.508
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 100.7±3.0 cm3

Click to predict properties on the Chemicalize site


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