ChemSpider 2D Image | Methyl 1-(methylsulfanyl)-2-oxocyclohexanecarbodithioate | C9H14OS3

Methyl 1-(methylsulfanyl)-2-oxocyclohexanecarbodithioate

  • Molecular FormulaC9H14OS3
  • Average mass234.402 Da
  • Monoisotopic mass234.020676 Da
  • ChemSpider ID62782197

More details:

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

1-(Méthylsulfanyl)-2-oxocyclohexanecarbodithioate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarbodithioic acid, 1-(methylthio)-2-oxo-, methyl ester [ACD/Index Name]
Methyl 1-(methylsulfanyl)-2-oxocyclohexanecarbodithioate [ACD/IUPAC Name]
Methyl-1-(methylsulfanyl)-2-oxocyclohexancarbodithioat [German] [ACD/IUPAC Name]
154911-35-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.9±27.9 °C
Index of Refraction: 1.600
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.76
ACD/KOC (pH 5.5): 602.96
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.76
ACD/KOC (pH 7.4): 602.96
Polar Surface Area: 100 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 189.7±5.0 cm3

Click to predict properties on the Chemicalize site


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