ChemSpider 2D Image | 5-Amino-1,3-thiazole-2-carbonitrile | C4H3N3S

5-Amino-1,3-thiazole-2-carbonitrile

  • Molecular FormulaC4H3N3S
  • Average mass125.152 Da
  • Monoisotopic mass125.004768 Da
  • ChemSpider ID24222540

More details:

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

2-Thiazolecarbonitrile, 5-amino- [ACD/Index Name]
5-Amino-1,3-thiazol-2-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1,3-thiazole-2-carbonitrile [ACD/IUPAC Name]
5-Amino-1,3-thiazole-2-carbonitrile [French] [ACD/IUPAC Name]
860182-74-7 [RN]
5-Aminothiazole-2-carbonitrile
MFCD16878389

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 317.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.5±25.7 °C
    Index of Refraction: 1.636
    Molar Refractivity: 30.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.69
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.09
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.09
    Polar Surface Area: 91 Å2
    Polarizability: 12.2±0.5 10-24cm3
    Surface Tension: 84.6±5.0 dyne/cm
    Molar Volume: 86.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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