ChemSpider 2D Image | S-Methyl 1-hydroxycyclohexanecarbothioate | C8H14O2S

S-Methyl 1-hydroxycyclohexanecarbothioate

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID21410626

More details:

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

1-Hydroxycyclohexanecarbothioate de S-méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarbothioic acid, 1-hydroxy-, S-methyl ester [ACD/Index Name]
S-Methyl 1-hydroxycyclohexanecarbothioate [ACD/IUPAC Name]
S-Methyl-1-hydroxycyclohexancarbothioat [German] [ACD/IUPAC Name]
88525-13-7 [RN]
MFCD21338405
S-Methyl 1-hydroxycyclohexane-1-carbothioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 276.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.8±6.0 kJ/mol
Flash Point: 120.9±21.5 °C
Index of Refraction: 1.543
Molar Refractivity: 46.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.06
ACD/KOC (pH 5.5): 168.56
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.06
ACD/KOC (pH 7.4): 168.56
Polar Surface Area: 63 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 147.1±3.0 cm3

Click to predict properties on the Chemicalize site


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