ChemSpider 2D Image | O-Benzyl methanesulfonothioate | C8H10O2S2

O-Benzyl methanesulfonothioate

  • Molecular FormulaC8H10O2S2
  • Average mass202.294 Da
  • Monoisotopic mass202.012222 Da
  • ChemSpider ID26542499

More details:






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

Méthanesulfonothioate de O-benzyle [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, O-(phenylmethyl) ester [ACD/Index Name]
O-Benzyl methanesulfonothioate [ACD/IUPAC Name]
O-Benzyl-methansulfonothioat [German] [ACD/IUPAC Name]
7559-62-8 [RN]
Benzyl Methanethiosulfonate
Benzyl methanethiosulphonate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 302.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 136.6±25.9 °C
Index of Refraction: 1.596
Molar Refractivity: 53.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.22
ACD/KOC (pH 5.5): 541.10
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.22
ACD/KOC (pH 7.4): 541.10
Polar Surface Area: 67 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 157.5±3.0 cm3

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