ChemSpider 2D Image | Butyl 2-amino-5-carbamoyl-4-methyl-3-thiophenecarboxylate | C11H16N2O3S

Butyl 2-amino-5-carbamoyl-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC11H16N2O3S
  • Average mass256.321 Da
  • Monoisotopic mass256.088165 Da
  • ChemSpider ID21329930

More details:

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

2-Amino-5-carbamoyl-4-méthyl-3-thiophènecarboxylate de butyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-amino-5-(aminocarbonyl)-4-methyl-, butyl ester [ACD/Index Name]
870540-23-1 [RN]
Butyl 2-amino-5-carbamoyl-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
butyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
Butyl-2-amino-5-carbamoyl-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
Butyl 2-amino-5-(aminocarbonyl)-4-methylthiophene-3-carboxylate
VS-14298

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

MFCD03422689 [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: 352.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 166.9±27.9 °C
    Index of Refraction: 1.586
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 32.76
    ACD/KOC (pH 5.5): 422.95
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 32.76
    ACD/KOC (pH 7.4): 422.95
    Polar Surface Area: 124 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 203.6±3.0 cm3

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