ChemSpider 2D Image | Methyl 4-(3-aminophenyl)-2-thiazolecarboxylate | C11H10N2O2S

Methyl 4-(3-aminophenyl)-2-thiazolecarboxylate

  • Molecular FormulaC11H10N2O2S
  • Average mass234.274 Da
  • Monoisotopic mass234.046295 Da
  • ChemSpider ID28468682

More details:

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

2-Thiazolecarboxylic acid, 4-(3-aminophenyl)-, methyl ester [ACD/Index Name]
4-(3-Aminophényl)-1,3-thiazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester
885279-72-1 [RN]
Methyl 4-(3-aminophenyl)-1,3-thiazole-2-carboxylate [ACD/IUPAC Name]
Methyl 4-(3-aminophenyl)-2-thiazolecarboxylate
methyl 4-(3-aminophenyl)thiazole-2-carboxylate
Methyl-4-(3-aminophenyl)-1,3-thiazol-2-carboxylat [German] [ACD/IUPAC Name]
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
[885279-72-1] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 441.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 220.5±29.3 °C
    Index of Refraction: 1.632
    Molar Refractivity: 63.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.07
    ACD/KOC (pH 5.5): 154.69
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 8.15
    ACD/KOC (pH 7.4): 156.21
    Polar Surface Area: 93 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 177.6±3.0 cm3

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