ChemSpider 2D Image | 2-methyl-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylic acid | C8H9NO2S

2-methyl-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

  • Molecular FormulaC8H9NO2S
  • Average mass183.228 Da
  • Monoisotopic mass183.035400 Da
  • ChemSpider ID27248051

More details:

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

1190391-79-7 [RN]
2-methyl-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
2-Methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid [ACD/IUPAC Name]
4H-Cyclopenta[d]thiazole-4-carboxylic acid, 5,6-dihydro-2-methyl- [ACD/Index Name]
Acide 2-méthyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylique [French] [ACD/IUPAC Name]
[1190391-79-7] [RN]
2061248-17-5 [RN]
2-Methyl-5,6-dihydro-4H-cyclopenta-[d][1,3]thiazole-4-carboxylic acid
2-Methyl-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxylic acid
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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: 1.4±0.1 g/cm3
    Boiling Point: 362.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 172.9±24.6 °C
    Index of Refraction: 1.624
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): 0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.63
    ACD/LogD (pH 7.4): -1.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 67.2±3.0 dyne/cm
    Molar Volume: 129.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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