ChemSpider 2D Image | benzo[d]thiazole-7-carbonitrile | C8H4N2S

benzo[d]thiazole-7-carbonitrile

  • Molecular FormulaC8H4N2S
  • Average mass160.196 Da
  • Monoisotopic mass160.009521 Da
  • ChemSpider ID27758067

More details:

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

1,3-Benzothiazol-7-carbonitril [German] [ACD/IUPAC Name]
1,3-Benzothiazole-7-carbonitrile [ACD/IUPAC Name]
1,3-Benzothiazole-7-carbonitrile [French] [ACD/IUPAC Name]
7-Benzothiazolecarbonitrile [ACD/Index Name]
895525-11-8 [RN]
benzo[d]thiazole-7-carbonitrile
[895525-11-8] [RN]
MFCD22571510

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 321.4±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 148.2±20.4 °C
    Index of Refraction: 1.690
    Molar Refractivity: 44.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.35
    ACD/KOC (pH 5.5): 234.20
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.35
    ACD/KOC (pH 7.4): 234.20
    Polar Surface Area: 65 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 69.3±5.0 dyne/cm
    Molar Volume: 117.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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