ChemSpider 2D Image | Methyl 2-bromo-5-propyl-4-thiazolecarboxylate | C8H10BrNO2S

Methyl 2-bromo-5-propyl-4-thiazolecarboxylate

  • Molecular FormulaC8H10BrNO2S
  • Average mass264.139 Da
  • Monoisotopic mass262.961548 Da
  • ChemSpider ID24534298

More details:

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

1120214-96-1 [RN]
2-Bromo-5-propyl-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-bromo-5-propyl-, methyl ester [ACD/Index Name]
Methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl 2-bromo-5-propyl-4-thiazolecarboxylate
Methyl 2-bromo-5-propylthiazole-4-carboxylate
Methyl-2-brom-5-propyl-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
[1120214-96-1] [RN]
112021-49-5 [RN]
2-Bromo-4-(methoxycarbonyl)-5-propyl-1,3-thiazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 326.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 151.1±24.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 56.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.96
    ACD/KOC (pH 5.5): 808.28
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 80.96
    ACD/KOC (pH 7.4): 808.28
    Polar Surface Area: 67 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 175.5±3.0 cm3

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