ChemSpider 2D Image | [4-(Benzyloxy)phenyl]methanethiol | C14H14OS

[4-(Benzyloxy)phenyl]methanethiol

  • Molecular FormulaC14H14OS
  • Average mass230.325 Da
  • Monoisotopic mass230.076538 Da
  • ChemSpider ID24750752

More details:

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

[4-(Benzyloxy)phenyl]methanethiol [ACD/IUPAC Name]
[4-(Benzyloxy)phényl]méthanethiol [French] [ACD/IUPAC Name]
[4-(Benzyloxy)phenyl]methanthiol [German] [ACD/IUPAC Name]
Benzenemethanethiol, 4-(phenylmethoxy)- [ACD/Index Name]
(4-phenylmethoxyphenyl)methanethiol
80192-91-2 [RN]
atoms 16 bonds 17
MFCD17168358

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 371.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 178.2±22.3 °C
    Index of Refraction: 1.603
    Molar Refractivity: 70.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 4.29
    ACD/BCF (pH 5.5): 1075.11
    ACD/KOC (pH 5.5): 5146.45
    ACD/LogD (pH 7.4): 4.29
    ACD/BCF (pH 7.4): 1071.68
    ACD/KOC (pH 7.4): 5130.03
    Polar Surface Area: 48 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 204.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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