ChemSpider 2D Image | {[2-(Methylsulfanyl)ethyl]sulfinyl}acetic acid | C5H10O3S2

{[2-(Methylsulfanyl)ethyl]sulfinyl}acetic acid

  • Molecular FormulaC5H10O3S2
  • Average mass182.261 Da
  • Monoisotopic mass182.007141 Da
  • ChemSpider ID42492194

More details:

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

{[2-(Methylsulfanyl)ethyl]sulfinyl}acetic acid [ACD/IUPAC Name]
{[2-(Methylsulfanyl)ethyl]sulfinyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(methylthio)ethyl]sulfinyl]- [ACD/Index Name]
Acide {[2-(méthylsulfanyl)éthyl]sulfinyl}acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 446.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 223.9±24.6 °C
Index of Refraction: 1.591
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 129.2±3.0 cm3

Click to predict properties on the Chemicalize site


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