ChemSpider 2D Image | (1S,2S)-2-[(2-Methyl-2-propanyl)sulfanyl]cyclohexanol | C10H20OS

(1S,2S)-2-[(2-Methyl-2-propanyl)sulfanyl]cyclohexanol

  • Molecular FormulaC10H20OS
  • Average mass188.330 Da
  • Monoisotopic mass188.123489 Da
  • ChemSpider ID58217482

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-[(2-Methyl-2-propanyl)sulfanyl]cyclohexanol [German] [ACD/IUPAC Name]
(1S,2S)-2-[(2-Methyl-2-propanyl)sulfanyl]cyclohexanol [ACD/IUPAC Name]
(1S,2S)-2-[(2-Méthyl-2-propanyl)sulfanyl]cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[(1,1-dimethylethyl)thio]-, (1S,2S)- [ACD/Index Name]
(1S,2S)-2-(tert-butylsulfanyl)cyclohexan-1-ol
(1S,2S)-2-tert-butylsulfanylcyclohexan-1-ol
224779-22-0 [RN]
MFCD30492902

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 281.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±6.0 kJ/mol
    Flash Point: 137.1±24.1 °C
    Index of Refraction: 1.504
    Molar Refractivity: 55.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.78
    ACD/KOC (pH 5.5): 806.97
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 80.78
    ACD/KOC (pH 7.4): 806.97
    Polar Surface Area: 46 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 36.3±5.0 dyne/cm
    Molar Volume: 188.5±5.0 cm3

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