ChemSpider 2D Image | (1S,2S)-2-[(4-Bromophenyl)sulfanyl]cyclohexanol | C12H15BrOS

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

  • Molecular FormulaC12H15BrOS
  • Average mass287.216 Da
  • Monoisotopic mass286.002686 Da
  • ChemSpider ID51892930

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-[(4-Bromophenyl)sulfanyl]cyclohexanol [ACD/IUPAC Name]
(1S,2S)-2-[(4-Bromophényl)sulfanyl]cyclohexanol [French] [ACD/IUPAC Name]
(1S,2S)-2-[(4-Bromphenyl)sulfanyl]cyclohexanol [German] [ACD/IUPAC Name]
Cyclohexanol, 2-[(4-bromophenyl)thio]-, (1S,2S)- [ACD/Index Name]
(1S,2S)-2-(4-bromophenyl)sulfanylcyclohexan-1-ol
(1S,2S)-2-[(4-bromophenyl)sulfanyl]cyclohexan-1-ol
1636179-67-3 [RN]
MFCD30492879

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 391.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 190.7±26.5 °C
    Index of Refraction: 1.631
    Molar Refractivity: 69.7±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 3.70
    ACD/BCF (pH 5.5): 383.95
    ACD/KOC (pH 5.5): 2462.79
    ACD/LogD (pH 7.4): 3.70
    ACD/BCF (pH 7.4): 383.95
    ACD/KOC (pH 7.4): 2462.79
    Polar Surface Area: 46 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 54.2±5.0 dyne/cm
    Molar Volume: 195.7±5.0 cm3

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