ChemSpider 2D Image | methyl 2-phenylthiazole-5-carboxylate | C11H9NO2S

methyl 2-phenylthiazole-5-carboxylate

  • Molecular FormulaC11H9NO2S
  • Average mass219.260 Da
  • Monoisotopic mass219.035400 Da
  • ChemSpider ID13950217

More details:

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

172678-68-1 [RN]
2-Phényl-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-phenyl-, methyl ester [ACD/Index Name]
Methyl 2-phenyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
methyl 2-phenylthiazole-5-carboxylate
Methyl-2-phenyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
[172678-68-1] [RN]
189271-66-7 [RN]
2-Phenyl-5-thiazolecarboxylic acid methyl ester
2-Phenyl-5-thiazolecarboxylicacidmethylester
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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: 1.3±0.1 g/cm3
    Boiling Point: 353.1±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.4±25.7 °C
    Index of Refraction: 1.589
    Molar Refractivity: 59.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.62
    ACD/KOC (pH 5.5): 702.98
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.62
    ACD/KOC (pH 7.4): 702.99
    Polar Surface Area: 67 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 175.3±3.0 cm3

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