ChemSpider 2D Image | methyl 5-amino-2-bromothiazole-4-carboxylate | C5H5BrN2O2S

methyl 5-amino-2-bromothiazole-4-carboxylate

  • Molecular FormulaC5H5BrN2O2S
  • Average mass237.074 Da
  • Monoisotopic mass235.925507 Da
  • ChemSpider ID29303482

More details:

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

1373223-08-5 [RN]
4-Thiazolecarboxylic acid, 5-amino-2-bromo-, methyl ester [ACD/Index Name]
5-Amino-2-bromo-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
methyl 5-amino-2-bromothiazole-4-carboxylate
Methyl-5-amino-2-brom-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
5-amino-2-bromo-thiazole-4-carboxylic acid methyl ester
MFCD22201201

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 328.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.1±3.0 kJ/mol
    Flash Point: 152.3±22.3 °C
    Index of Refraction: 1.642
    Molar Refractivity: 46.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 7.24
    ACD/KOC (pH 5.5): 143.61
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.24
    ACD/KOC (pH 7.4): 143.61
    Polar Surface Area: 93 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 65.7±3.0 dyne/cm
    Molar Volume: 128.5±3.0 cm3

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