ChemSpider 2D Image | {[2-(Methylsulfonyl)ethyl]sulfanyl}acetic acid | C5H10O4S2

{[2-(Methylsulfonyl)ethyl]sulfanyl}acetic acid

  • Molecular FormulaC5H10O4S2
  • Average mass198.260 Da
  • Monoisotopic mass198.002045 Da
  • ChemSpider ID37931139

More details:

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

{[2-(Methylsulfonyl)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[2-(Methylsulfonyl)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(methylsulfonyl)ethyl]thio]- [ACD/Index Name]
Acide {[2-(méthylsulfonyl)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 226.7±24.6 °C
Index of Refraction: 1.533
Molar Refractivity: 43.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 140.7±3.0 cm3

Click to predict properties on the Chemicalize site


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