ChemSpider 2D Image | 1-(Adamantan-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione | C17H20N2S

1-(Adamantan-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione

  • Molecular FormulaC17H20N2S
  • Average mass284.419 Da
  • Monoisotopic mass284.134705 Da
  • ChemSpider ID21627192

More details:






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

1-(Adamantan-1-yl)-1,3-dihydro-2H-benzimidazol-2-thion [German] [ACD/IUPAC Name]
1-(Adamantan-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione [ACD/IUPAC Name]
1-(Adamantan-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione [French] [ACD/IUPAC Name]
1-(tricyclo[3.3.1.13,7]dec-1-yl)-1H-benzimidazole-2-thiol
2H-Benzimidazole-2-thione, 1,3-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
1-(1-adamantyl)-1H-benzimidazole-2-thiol
1-(Adamantan-1-yl)-1H-benzo[d]imidazole-2-thiol
1-Adamantan-1-yl-1H-benzoimidazole-2-thiol
1-adamantanylbenzimidazole-2-thiol
3-(1-adamantyl)-1H-benzimidazole-2-thione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 450.7±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 226.4±24.0 °C
    Index of Refraction: 1.805
    Molar Refractivity: 83.0±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 18.36
    ACD/KOC (pH 5.5): 65.44
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 17.50
    ACD/KOC (pH 7.4): 62.34
    Polar Surface Area: 57 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 58.4±7.0 dyne/cm
    Molar Volume: 193.3±7.0 cm3

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