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

4-tert-Butyl 2-methyl thiomorpholine-2,4-dicarboxylate

  • 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

1383453-52-8 [RN]
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]
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, 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: 1.47
    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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