ChemSpider 2D Image | 5-BROMO-3-METHYLISOTHIAZOLE-4-CARBONITRILE | C5H3BrN2S

5-BROMO-3-METHYLISOTHIAZOLE-4-CARBONITRILE

  • Molecular FormulaC5H3BrN2S
  • Average mass203.060 Da
  • Monoisotopic mass201.920029 Da
  • ChemSpider ID38238144

More details:

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

1803561-46-7 [RN]
4-Isothiazolecarbonitrile, 5-bromo-3-methyl- [ACD/Index Name]
5-Brom-3-methyl-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Bromo-3-methyl-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
5-Bromo-3-méthyl-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-BROMO-3-METHYLISOTHIAZOLE-4-CARBONITRILE
MFCD27991839

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 196.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.3±3.0 kJ/mol
    Flash Point: 72.7±27.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 39.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.21
    ACD/KOC (pH 5.5): 309.84
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.21
    ACD/KOC (pH 7.4): 309.86
    Polar Surface Area: 65 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 69.0±5.0 dyne/cm
    Molar Volume: 112.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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