ChemSpider 2D Image | Dimethyl N-{2-[(4-chlorophenyl)sulfanyl]propanoyl}aspartate | C15H18ClNO5S

Dimethyl N-{2-[(4-chlorophenyl)sulfanyl]propanoyl}aspartate

  • Molecular FormulaC15H18ClNO5S
  • Average mass359.825 Da
  • Monoisotopic mass359.059418 Da
  • ChemSpider ID21951137

More details:

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

Aspartic acid, N-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-{2-[(4-chlorophenyl)sulfanyl]propanoyl}aspartate [ACD/IUPAC Name]
Dimethyl-N-{2-[(4-chlorphenyl)sulfanyl]propanoyl}aspartat [German] [ACD/IUPAC Name]
N-{2-[(4-Chlorophényl)sulfanyl]propanoyl}aspartate de diméthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.78
ACD/KOC (pH 5.5): 1076.21
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.78
ACD/KOC (pH 7.4): 1076.20
Polar Surface Area: 107 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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