ChemSpider 2D Image | Ethyl 5-acetyl-2-amino-4-phenyl-3-thiophenecarboxylate | C15H15NO3S

Ethyl 5-acetyl-2-amino-4-phenyl-3-thiophenecarboxylate

  • Molecular FormulaC15H15NO3S
  • Average mass289.349 Da
  • Monoisotopic mass289.077271 Da
  • ChemSpider ID23079759

More details:

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

3-Thiophenecarboxylic acid, 5-acetyl-2-amino-4-phenyl-, ethyl ester [ACD/Index Name]
5-Acétyl-2-amino-4-phényl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-acetyl-2-amino-4-phenyl-3-thiophenecarboxylate [ACD/IUPAC Name]
ethyl 5-acetyl-2-amino-4-phenylthiophene-3-carboxylate
Ethyl-5-acetyl-2-amino-4-phenyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
[122835-45-4] [RN]
122835-45-4 [RN]
3-thiophenecarboxylic acid, 5-acetyl-2-amino-4-phenyl-, et
5-Acetyl-2-amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester
MFCD13248796 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 506.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.7±3.0 kJ/mol
    Flash Point: 260.3±30.1 °C
    Index of Refraction: 1.604
    Molar Refractivity: 79.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.70
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 191.68
    ACD/KOC (pH 5.5): 1497.90
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 191.68
    ACD/KOC (pH 7.4): 1497.90
    Polar Surface Area: 98 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 232.4±3.0 cm3

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