ChemSpider 2D Image | (2S)-3-Oxo-2-sulfanylbutanoic acid | C4H6O3S

(2S)-3-Oxo-2-sulfanylbutanoic acid

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID32989617

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Oxo-2-sulfanylbutanoic acid [ACD/IUPAC Name]
(2S)-3-Oxo-2-sulfanylbutansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-oxo-2-sulfanylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-mercapto-3-oxo-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 265.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.4±6.0 kJ/mol
Flash Point: 114.0±25.9 °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: 0.72
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
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


Advertisement