ChemSpider 2D Image | 3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid | C8H11NO2S2

3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID28637229

More details:

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

3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2,3-dihydro-3-methyl-4-propyl-2-thioxo- [ACD/Index Name]
Acide 3-méthyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
1370051-36-7 [RN]
3-methyl-4-propyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid
3-methyl-4-propyl-2-thioxo-2,3-dihydrothiazole-5-carboxylic acid
3-Methyl-4-propyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid
AKOS024287279
MCULE-8358305422
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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: 329.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±6.0 kJ/mol
    Flash Point: 153.3±30.7 °C
    Index of Refraction: 1.653
    Molar Refractivity: 57.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 3.48
    ACD/KOC (pH 5.5): 67.07
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.50
    Polar Surface Area: 98 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 156.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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