ChemSpider 2D Image | Methyl 3-thiomorpholinecarboxylate | C6H11NO2S

Methyl 3-thiomorpholinecarboxylate

  • Molecular FormulaC6H11NO2S
  • Average mass161.222 Da
  • Monoisotopic mass161.051056 Da
  • ChemSpider ID13301374

More details:

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

3-Thiomorpholinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiomorpholinecarboxylic acid, methyl ester [ACD/Index Name]
78865-47-1 [RN]
Methyl 3-thiomorpholinecarboxylate [ACD/IUPAC Name]
methyl thiomorpholine-3-carboxylate
Methyl-3-thiomorpholincarboxylat [German] [ACD/IUPAC Name]
MFCD09405990 [MDL number]
TS-02152

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

Density: 1.2±0.1 g/cm3
Boiling Point: 245.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 102.1±25.9 °C
Index of Refraction: 1.498
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 34.03
Polar Surface Area: 64 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement