ChemSpider 2D Image | 4-Pyridin-3-yl-1,3-thiazole-2-carboxylic acid | C9H6N2O2S

4-Pyridin-3-yl-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC9H6N2O2S
  • Average mass206.221 Da
  • Monoisotopic mass206.014999 Da
  • ChemSpider ID21591295

More details:

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

2-Thiazolecarboxylic acid, 4-(3-pyridinyl)- [ACD/Index Name]
4-(3-Pyridinyl)-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-(3-Pyridinyl)-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
4-Pyridin-3-yl-1,3-thiazole-2-carboxylic acid
59020-46-1 [RN]
Acide 4-(3-pyridinyl)-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]
[59020-46-1] [RN]
4-(3-pyridyl)-1,3-thiazole-2-carboxylic acid
4-(Pyridin-3-yl)-1,3-thiazole-2-carboxylic acid
4-(pyridin-3-yl)thiazole-2-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 466.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±3.0 kJ/mol
    Flash Point: 236.1±26.5 °C
    Index of Refraction: 1.652
    Molar Refractivity: 52.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): -1.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 70.1±3.0 dyne/cm
    Molar Volume: 143.2±3.0 cm3

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