ChemSpider 2D Image | Ethyl 3-amino-2-[(4-methylphenyl)carbamothioyl]-3-oxopropanoate | C13H16N2O3S

Ethyl 3-amino-2-[(4-methylphenyl)carbamothioyl]-3-oxopropanoate

  • Molecular FormulaC13H16N2O3S
  • Average mass280.343 Da
  • Monoisotopic mass280.088165 Da
  • ChemSpider ID24808476

More details:

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

3-Amino-2-[(4-méthylphényl)carbamothioyl]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
59099-59-1 [RN]
Ethyl 2-(aminocarbonyl)-3-[(4-methylphenyl)amino]-3-thioxopropanoate
Ethyl 3-amino-2-[(4-methylphenyl)carbamothioyl]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-amino-2-[(4-methylphenyl)carbamothioyl]-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-amino-2-[[(4-methylphenyl)amino]thioxomethyl]-3-oxo-, ethyl ester [ACD/Index Name]
Kinome_3131

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

Density: 1.3±0.1 g/cm3
Boiling Point: 449.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.35
ACD/KOC (pH 5.5): 267.78
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 11.07
ACD/KOC (pH 7.4): 170.89
Polar Surface Area: 114 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 217.3±3.0 cm3

Click to predict properties on the Chemicalize site


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