ChemSpider 2D Image | Ethyl N,S-diacetyl-D-cysteinate | C9H15NO4S

Ethyl N,S-diacetyl-D-cysteinate

  • Molecular FormulaC9H15NO4S
  • Average mass233.285 Da
  • Monoisotopic mass233.072174 Da
  • ChemSpider ID78360635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Cysteine, N,S-diacetyl-, ethyl ester [ACD/Index Name]
Ethyl N,S-diacetyl-D-cysteinate [ACD/IUPAC Name]
Ethyl-N,S-diacetyl-D-cysteinat [German] [ACD/IUPAC Name]
N,S-Diacétyl-D-cystéinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 390.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.7±25.1 °C
Index of Refraction: 1.489
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.12
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.12
Polar Surface Area: 98 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

Click to predict properties on the Chemicalize site


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