ChemSpider 2D Image | 2-ethylthiazole-4-carboxylic acid | C6H7NO2S

2-ethylthiazole-4-carboxylic acid

  • Molecular FormulaC6H7NO2S
  • Average mass157.190 Da
  • Monoisotopic mass157.019745 Da
  • ChemSpider ID21800144

More details:

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

2-Ethyl-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-Ethyl-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
2-ethylthiazole-4-carboxylic acid
4-Thiazolecarboxylic acid, 2-ethyl- [ACD/Index Name]
769124-05-2 [RN]
Acide 2-éthyl-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
[769124-05-2] [RN]
2-ethyl-1,3-thiazole-4-carboxylicacid
2-Ethyl-thiazole-4-carboxylic acid
2-ethylthiazole-4-carboxylic acid;
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09258842 [DBID]
CCRIS 4693 [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: 305.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 138.3±20.4 °C
    Index of Refraction: 1.582
    Molar Refractivity: 39.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): -0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.00
    ACD/LogD (pH 7.4): -1.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 57.4±3.0 dyne/cm
    Molar Volume: 117.5±3.0 cm3

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