ChemSpider 2D Image | 3-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]propanenitrile | C11H11N3S

3-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]propanenitrile

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID21749909

More details:

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

3-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]propanenitrile [ACD/IUPAC Name]
3-[(1H-Benzimidazol-2-ylméthyl)sulfanyl]propanenitrile [French] [ACD/IUPAC Name]
3-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 3-[(1H-benzimidazol-2-ylmethyl)thio]- [ACD/Index Name]
2-[(1H-1,3-benzimidazol-2-ylmethyl)sulfanyl]ethyl cyanide
3-((1H-benzimidazol-2-ylmethyl)thio)propanenitrile
3-(1H-benzimidazol-2-ylmethylsulfanyl)propanenitrile
3-[(1H-1,3-benzodiazol-2-ylmethyl)sulfanyl]propanenitrile
3-[(1H-benzimidazol-2-ylmethyl)thio]propanenitrile
3-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}propanenitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 499.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 255.7±24.6 °C
    Index of Refraction: 1.677
    Molar Refractivity: 63.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 10.06
    ACD/KOC (pH 5.5): 155.92
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 17.07
    ACD/KOC (pH 7.4): 264.56
    Polar Surface Area: 78 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 66.2±3.0 dyne/cm
    Molar Volume: 168.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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