ChemSpider 2D Image | S-Methyl cyclopentanesulfonothioate | C6H12O2S2

S-Methyl cyclopentanesulfonothioate

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID24213826

More details:






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

Cyclopentanesulfonothioate de S-méthyle [French] [ACD/IUPAC Name]
Cyclopentanesulfonothioic acid, S-methyl ester [ACD/Index Name]
S-Methyl cyclopentanesulfonothioate [ACD/IUPAC Name]
S-Methyl-cyclopentansulfonothioat [German] [ACD/IUPAC Name]
30547-09-2 [RN]
CYCLOPENTANESULFONOTHIOIC ACID S-METHYL ESTER
Cyclopentanesulfonothioic acid, S-methyl ester (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 339.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 159.2±18.7 °C
Index of Refraction: 1.532
Molar Refractivity: 44.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.04
ACD/KOC (pH 5.5): 154.73
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 154.73
Polar Surface Area: 68 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 143.9±5.0 cm3

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