ChemSpider 2D Image | 3-Methyl-isothiazole-4-carbonitrile | C5H4N2S

3-Methyl-isothiazole-4-carbonitrile

  • Molecular FormulaC5H4N2S
  • Average mass124.164 Da
  • Monoisotopic mass124.009521 Da
  • ChemSpider ID21615370

More details:

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

3-Methyl-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Methyl-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Méthyl-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
3-Methyl-isothiazole-4-carbonitrile
4-Isothiazolecarbonitrile, 3-methyl- [ACD/Index Name]
58850-81-0 [RN]
3-methyl-4-cyano-5-isothiazolyl
3-methyl-4-cyano-isothiazolyl
3-methyl-4-cyanoisothiazolyl-5
3-methyl-4-cyano-isothiazolyl-5
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 128.0±33.0 °C at 760 mmHg
    Vapour Pressure: 10.9±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.6±3.0 kJ/mol
    Flash Point: 31.2±25.4 °C
    Index of Refraction: 1.559
    Molar Refractivity: 31.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.15
    ACD/KOC (pH 5.5): 79.17
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.15
    ACD/KOC (pH 7.4): 79.17
    Polar Surface Area: 65 Å2
    Polarizability: 12.6±0.5 10-24cm3
    Surface Tension: 57.2±5.0 dyne/cm
    Molar Volume: 98.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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