ChemSpider 2D Image | S-{2-[(4R)-4-Methyl-2-oxocyclohexyl]-2-propanyl} ethanethioate | C12H20O2S

S-{2-[(4R)-4-Methyl-2-oxocyclohexyl]-2-propanyl} ethanethioate

  • Molecular FormulaC12H20O2S
  • Average mass228.351 Da
  • Monoisotopic mass228.118393 Da
  • ChemSpider ID21242117

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Éthanethioate de S-{2-[(4R)-4-méthyl-2-oxocyclohexyl]-2-propanyle} [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[1-methyl-1-[(4R)-4-methyl-2-oxocyclohexyl]ethyl] ester [ACD/Index Name]
S-{2-[(4R)-4-Methyl-2-oxocyclohexyl]-2-propanyl} ethanethioate [ACD/IUPAC Name]
S-{2-[(4R)-4-Methyl-2-oxocyclohexyl]-2-propanyl}-ethanthioat [German] [ACD/IUPAC Name]
63299-27-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 127.7±10.4 °C
Index of Refraction: 1.496
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 103.92
ACD/KOC (pH 5.5): 966.40
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.92
ACD/KOC (pH 7.4): 966.40
Polar Surface Area: 59 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 216.8±3.0 cm3

Click to predict properties on the Chemicalize site


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