ChemSpider 2D Image | 3-[(Methylsulfonothioyl)oxy]propanoic acid | C4H8O4S2

3-[(Methylsulfonothioyl)oxy]propanoic acid

  • Molecular FormulaC4H8O4S2
  • Average mass184.234 Da
  • Monoisotopic mass183.986404 Da
  • ChemSpider ID26542497

More details:

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

3-[(Methylsulfonothioyl)oxy]propanoic acid [ACD/IUPAC Name]
3-[(Methylsulfonothioyl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(méthylsulfonothioyl)oxy]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(methylsulfonothioyl)oxy]- [ACD/Index Name]
2-CARBOXYETHYL METHANETHIOSULFONATE
92953-12-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 331.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 154.5±28.4 °C
Index of Refraction: 1.552
Molar Refractivity: 39.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 104 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 124.5±3.0 cm3

Click to predict properties on the Chemicalize site


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