ChemSpider 2D Image | 3-Chloro-N,6-bis(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide | C17H22ClNOS

3-Chloro-N,6-bis(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC17H22ClNOS
  • Average mass323.881 Da
  • Monoisotopic mass323.111053 Da
  • ChemSpider ID21666149

More details:

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

3-Chlor-N,6-bis(2-methyl-2-propanyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-N,6-bis(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Chloro-N,6-bis(2-méthyl-2-propanyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-chloro-N,6-bis(1,1-dimethylethyl)- [ACD/Index Name]
889767-65-1 [RN]
N-(tert-butyl)[6-(tert-butyl)-3-chlorobenzo[b]thiophen-2-yl]carboxamide
N,6-ditert-butyl-3-chloro-1-benzothiophene-2-carboxamide
N,6-di-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 455.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 229.1±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 93.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.04
    ACD/LogD (pH 5.5): 5.76
    ACD/BCF (pH 5.5): 14064.91
    ACD/KOC (pH 5.5): 32420.84
    ACD/LogD (pH 7.4): 5.76
    ACD/BCF (pH 7.4): 14064.90
    ACD/KOC (pH 7.4): 32420.80
    Polar Surface Area: 57 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 281.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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