ChemSpider 2D Image | 1-Benzylbenzoimidazole | C14H21NO2S

1-Benzylbenzoimidazole

  • Molecular FormulaC14H21NO2S
  • Average mass267.387 Da
  • Monoisotopic mass267.129303 Da
  • ChemSpider ID21373895
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(2S)-1-Phényl-3-sulfanyl-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
141437-85-6 [RN]
1-Benzylbenzoimidazole
2-Methyl-2-propanyl [(2S)-1-phenyl-3-sulfanyl-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-phenyl-3-sulfanyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-mercapto-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl [(2S)-1-phenyl-3-sulfanylpropan-2-yl]carbamate
(S)-(1-Mercaptomethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
(S)-2-Benzyl-2-N-Bocaminoethyl thiol
(S)-2-Benzyl-2-N-Bocamino-ethyl thiol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 397.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.9±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 76.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 3.85
    ACD/BCF (pH 5.5): 493.59
    ACD/KOC (pH 5.5): 2947.86
    ACD/LogD (pH 7.4): 3.85
    ACD/BCF (pH 7.4): 491.63
    ACD/KOC (pH 7.4): 2936.15
    Polar Surface Area: 77 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 38.9±3.0 dyne/cm
    Molar Volume: 248.1±3.0 cm3

    Click to predict properties on the Chemicalize site






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