ChemSpider 2D Image | 4-cyclopropylthiazole-2-carboxylic acid | C7H7NO2S

4-cyclopropylthiazole-2-carboxylic acid

  • Molecular FormulaC7H7NO2S
  • Average mass169.201 Da
  • Monoisotopic mass169.019745 Da
  • ChemSpider ID21591294

More details:

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

1083274-67-2 [RN]
2-Thiazolecarboxylic acid, 4-cyclopropyl- [ACD/Index Name]
4-Cyclopropyl-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Cyclopropyl-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
4-cyclopropylthiazole-2-carboxylic acid
Acide 4-cyclopropyl-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]
[1083274-67-2] [RN]
108327-46-4 [RN]
2-Carboxy-4-cyclopropyl-1,3-thiazole
4316-97-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 369.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 177.3±25.9 °C
    Index of Refraction: 1.662
    Molar Refractivity: 41.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 76.3±3.0 dyne/cm
    Molar Volume: 112.7±3.0 cm3

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