ChemSpider 2D Image | Dimethyl N-(thioxomethylene)-D-aspartate | C7H9NO4S

Dimethyl N-(thioxomethylene)-D-aspartate

  • Molecular FormulaC7H9NO4S
  • Average mass203.216 Da
  • Monoisotopic mass203.025223 Da
  • ChemSpider ID110095317

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Aspartic acid, N-carbonothioyl-, dimethyl ester [ACD/Index Name]
Dimethyl N-(thioxomethylene)-D-aspartate [ACD/IUPAC Name]
Dimethyl-N-(thioxomethylen)-D-aspartat [German] [ACD/IUPAC Name]
N-(Thioxométhylène)-D-aspartate de diméthyle [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: 295.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.4±24.6 °C
Index of Refraction: 1.511
Molar Refractivity: 49.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.29
ACD/KOC (pH 5.5): 209.70
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.29
ACD/KOC (pH 7.4): 209.70
Polar Surface Area: 97 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 164.5±7.0 cm3

Click to predict properties on the Chemicalize site


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