ChemSpider 2D Image | (1S,2S)-2-[(4-Fluorophenyl)sulfanyl]cyclohexanol | C12H15FOS

(1S,2S)-2-[(4-Fluorophenyl)sulfanyl]cyclohexanol

  • Molecular FormulaC12H15FOS
  • Average mass226.310 Da
  • Monoisotopic mass226.082764 Da
  • ChemSpider ID51892961

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-[(4-Fluorophenyl)sulfanyl]cyclohexanol [ACD/IUPAC Name]
(1S,2S)-2-[(4-Fluorophényl)sulfanyl]cyclohexanol [French] [ACD/IUPAC Name]
(1S,2S)-2-[(4-Fluorphenyl)sulfanyl]cyclohexanol [German] [ACD/IUPAC Name]
Cyclohexanol, 2-[(4-fluorophenyl)thio]-, (1S,2S)- [ACD/Index Name]
(1S,2S)-2-(4-fluorophenyl)sulfanylcyclohexan-1-ol
(1S,2S)-2-[(4-fluorophenyl)sulfanyl]cyclohexan-1-ol
1636179-68-4 [RN]
MFCD30492881

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 347.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.7±26.5 °C
    Index of Refraction: 1.577
    Molar Refractivity: 62.1±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 107.51
    ACD/KOC (pH 5.5): 990.21
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 107.51
    ACD/KOC (pH 7.4): 990.21
    Polar Surface Area: 46 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 45.6±5.0 dyne/cm
    Molar Volume: 187.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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