ChemSpider 2D Image | 2-Methyl 4-(2-methyl-2-propanyl) 2,4-thiomorpholinedicarboxylate | C11H19NO4S

2-Methyl 4-(2-methyl-2-propanyl) 2,4-thiomorpholinedicarboxylate

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID57422833

More details:






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

2,4-Thiomorpholinedicarboxylate de 2-méthyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) 2-methyl ester [ACD/Index Name]
2-Methyl 4-(2-methyl-2-propanyl) 2,4-thiomorpholinedicarboxylate [ACD/IUPAC Name]
2-Methyl-4-(2-methyl-2-propanyl)-2,4-thiomorpholindicarboxylat [German] [ACD/IUPAC Name]
1383453-52-8 [RN]
4-tert-Butyl 2-methyl thiomorpholine-2,4-dicarboxylate
atoms 17 bonds 17
MFCD23162727
Thiomorpholine-2,4-dicarboxylic acid 4-tert-butyl ester 2-methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 1.47
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.98
ACD/KOC (pH 5.5): 415.71
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.98
ACD/KOC (pH 7.4): 415.71
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

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