ChemSpider 2D Image | Methyl 3-oxo-2-thiomorpholinecarboxylate | C6H9NO3S

Methyl 3-oxo-2-thiomorpholinecarboxylate

  • Molecular FormulaC6H9NO3S
  • Average mass175.206 Da
  • Monoisotopic mass175.030319 Da
  • ChemSpider ID32033396

More details:

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

1795304-62-9 [RN]
2-Thiomorpholinecarboxylic acid, 3-oxo-, methyl ester [ACD/Index Name]
3-Oxo-2-thiomorpholinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-oxo-2-thiomorpholinecarboxylate [ACD/IUPAC Name]
methyl 3-oxothiomorpholine-2-carboxylate
Methyl-3-oxo-2-thiomorpholincarboxylat [German] [ACD/IUPAC Name]
MFCD28064016

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

Density: 1.3±0.1 g/cm3
Boiling Point: 382.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.3±27.9 °C
Index of Refraction: 1.515
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.48
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.48
Polar Surface Area: 81 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 136.1±3.0 cm3

Click to predict properties on the Chemicalize site


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