ChemSpider 2D Image | (Methylsulfanyl)(oxo)acetic acid | C3H4O3S

(Methylsulfanyl)(oxo)acetic acid

  • Molecular FormulaC3H4O3S
  • Average mass120.127 Da
  • Monoisotopic mass119.988113 Da
  • ChemSpider ID32991348

More details:

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

(Methylsulfanyl)(oxo)acetic acid [ACD/IUPAC Name]
(Methylsulfanyl)(oxo)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-(methylthio)-2-oxo- [ACD/Index Name]
Acide (méthylsulfanyl)(oxo)acétique [French] [ACD/IUPAC Name]
733690-59-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 264.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.3±6.0 kJ/mol
Flash Point: 113.8±22.6 °C
Index of Refraction: 1.522
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

Click to predict properties on the Chemicalize site


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