ChemSpider 2D Image | 4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid | C7H9NO2S

4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC7H9NO2S
  • Average mass171.217 Da
  • Monoisotopic mass171.035400 Da
  • ChemSpider ID14460291

More details:

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

119778-44-8 [RN]
4-Ethyl-2-methyl-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-ethyl-2-methyl- [ACD/Index Name]
Acide 4-éthyl-2-méthyl-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
[119778-44-8] [RN]
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylicacid
4-Ethyl-2-methylthiazole-5-carboxylic acid
4-Ethyl-2-methyl-thiazole-5-carboxylic acid
4-Ethyl-2-methylthiazole-5-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
MFCD12027007 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 299.6±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 135.0±21.8 °C
    Index of Refraction: 1.572
    Molar Refractivity: 44.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): -0.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 53.0±3.0 dyne/cm
    Molar Volume: 133.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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