ChemSpider 2D Image | O-Methyl methanesulfonothioate | C2H6O2S2

O-Methyl methanesulfonothioate

  • Molecular FormulaC2H6O2S2
  • Average mass126.198 Da
  • Monoisotopic mass125.980919 Da
  • ChemSpider ID16263039

More details:

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

Méthanesulfonothioate de O-méthyle [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, O-methyl ester [ACD/Index Name]
O-Methyl methanesulfonothioate [ACD/IUPAC Name]
O-Methyl-methansulfonothioat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274116/
Methanethiosulfonic acid O-methyl ester
Methyl Methanethiosulfonate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 149.7±23.0 °C at 760 mmHg
Vapour Pressure: 5.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.1±3.0 kJ/mol
Flash Point: 44.4±22.6 °C
Index of Refraction: 1.508
Molar Refractivity: 28.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.71
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.71
Polar Surface Area: 67 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 96.8±3.0 cm3

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