ChemSpider 2D Image | 2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide | C17H17N3OS

2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide

  • Molecular FormulaC17H17N3OS
  • Average mass311.401 Da
  • Monoisotopic mass311.109222 Da
  • ChemSpider ID26022693

More details:

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

1260918-96-4 [RN]
1H-Benzimidazole-2-ethanethioamide, α-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)propanethioamide
2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide [ACD/IUPAC Name]
2-(1H-Benzimidazol-2-yl)-3-(4-méthoxyphényl)propanethioamide [French] [ACD/IUPAC Name]
2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanthioamid [German] [ACD/IUPAC Name]
[1260918-96-4] [RN]
2-(1H-Benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide
2-(1H-Benzoimidazol-2-yl)-3-(4-methoxy-phenyl)-thiopropionamide
BS-3364
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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: 583.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±3.0 kJ/mol
    Flash Point: 306.5±32.9 °C
    Index of Refraction: 1.706
    Molar Refractivity: 92.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 70.42
    ACD/KOC (pH 5.5): 654.83
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 103.31
    ACD/KOC (pH 7.4): 960.71
    Polar Surface Area: 96 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 67.7±3.0 dyne/cm
    Molar Volume: 238.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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