ChemSpider 2D Image | 4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate | C11H19NO4S

4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID34211556

More details:

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

3,4-Thiomorpholinedicarboxylate de 3-méthyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) 3-methyl ester [ACD/Index Name]
343616-34-2 [RN]
3-Methyl 4-(2-methyl-2-propanyl) 3,4-thiomorpholinedicarboxylate [ACD/IUPAC Name]
3-Methyl-4-(2-methyl-2-propanyl)-3,4-thiomorpholindicarboxylat [German] [ACD/IUPAC Name]
4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate
MFCD24470305

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

Density: 1.2±0.1 g/cm3
Boiling Point: 346.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 163.1±27.9 °C
Index of Refraction: 1.506
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.08
ACD/KOC (pH 5.5): 407.36
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.08
ACD/KOC (pH 7.4): 407.36
Polar Surface Area: 81 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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