ChemSpider 2D Image | 5-Methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid | C7H6N4O2S

5-Methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC7H6N4O2S
  • Average mass210.213 Da
  • Monoisotopic mass210.021149 Da
  • ChemSpider ID25859624

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(2-thiazolyl)- [ACD/Index Name]
5-Methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1210478-20-8 [RN]
5-methyl-1-(1,3-thiazol-2-yl)-1,2,3-triazole-4-carboxylic acid
5-methyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
AKOS015958040
F2145-0315
L-3920
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 483.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±3.0 kJ/mol
    Flash Point: 246.2±26.5 °C
    Index of Refraction: 1.805
    Molar Refractivity: 52.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -1.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 78.9±7.0 dyne/cm
    Molar Volume: 121.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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