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Search term: ZJKPLBPNTLTOBE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | trans-4-Sulfanylcyclohexanol | C6H12OS

trans-4-Sulfanylcyclohexanol

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID28536913

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-mercapto-, trans- [ACD/Index Name]
trans-4-Sulfanylcyclohexanol [German] [ACD/IUPAC Name]
trans-4-Sulfanylcyclohexanol [ACD/IUPAC Name]
trans-4-Sulfanylcyclohexanol [French] [ACD/IUPAC Name]
(1r,4r)-4-mercaptocyclohexan-1-ol
[6522-35-6] [RN]
6522-35-6 [RN]
MFCD23701511 [MDL number]
trans-4-Mercaptocyclohexanol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 222.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±6.0 kJ/mol
    Flash Point: 88.5±25.4 °C
    Index of Refraction: 1.519
    Molar Refractivity: 37.1±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.92
    ACD/KOC (pH 5.5): 108.83
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 4.91
    ACD/KOC (pH 7.4): 108.78
    Polar Surface Area: 59 Å2
    Polarizability: 14.7±0.5 10-24cm3
    Surface Tension: 39.6±5.0 dyne/cm
    Molar Volume: 122.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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