ChemSpider 2D Image | [(2-Oxoethyl)sulfanyl]acetic acid | C4H6O3S

[(2-Oxoethyl)sulfanyl]acetic acid

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID44784890

More details:

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

[(2-Oxoethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-Oxoethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(2-oxoethyl)thio]- [ACD/Index Name]
Acide [(2-oxoéthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
1558405-99-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 278.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.9±6.0 kJ/mol
Flash Point: 122.0±23.2 °C
Index of Refraction: 1.516
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 100.5±3.0 cm3

Click to predict properties on the Chemicalize site


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