ChemSpider 2D Image | 2-Chloro-5-methylthiazole-4-carbonitrile | C5H3ClN2S

2-Chloro-5-methylthiazole-4-carbonitrile

  • Molecular FormulaC5H3ClN2S
  • Average mass158.609 Da
  • Monoisotopic mass157.970551 Da
  • ChemSpider ID30648454

More details:

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

1379336-26-1 [RN]
2-Chlor-5-methyl-1,3-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
2-Chloro-5-methyl-1,3-thiazole-4-carbonitrile [ACD/IUPAC Name]
2-Chloro-5-méthyl-1,3-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-Chloro-5-methylthiazole-4-carbonitrile
4-Thiazolecarbonitrile, 2-chloro-5-methyl- [ACD/Index Name]
DS-8081
MFCD20039199
N#CC1=C(C)SC(Cl)=N1

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 303.1±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.3±3.0 kJ/mol
    Flash Point: 137.1±25.7 °C
    Index of Refraction: 1.581
    Molar Refractivity: 36.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.52
    ACD/KOC (pH 5.5): 67.41
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 2.52
    ACD/KOC (pH 7.4): 67.41
    Polar Surface Area: 65 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 110.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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