ChemSpider 2D Image | 4,5,6,7-tetradeuterio-1,3-benzothiazole | C7HD4NS

4,5,6,7-tetradeuterio-1,3-benzothiazole

  • Molecular FormulaC7HD4NS
  • Average mass139.211 Da
  • Monoisotopic mass139.039383 Da
  • ChemSpider ID8995903

  • Non-standard isotope - Non-standard isotope

More details:

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

(4,5,6,7-2H4)-1,3-Benzothiazol [German] [ACD/IUPAC Name]
(4,5,6,7-2H4)-1,3-Benzothiazole [French] [ACD/IUPAC Name]
194423-51-3 [RN]
4,5,6,7-tetradeuterio-1,3-benzothiazole
Benzothiazole-d4

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 227.0±9.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.5±3.0 kJ/mol
    Flash Point: 96.6±7.6 °C
    Index of Refraction: 1.689
    Molar Refractivity: 40.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.01
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.98
    ACD/KOC (pH 5.5): 328.11
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.98
    ACD/KOC (pH 7.4): 328.11
    Polar Surface Area: 41 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 106.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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