ChemSpider 2D Image | Ethyl N-Boc-2-thiomorpholinecarboxylate | C12H21NO4S

Ethyl N-Boc-2-thiomorpholinecarboxylate

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID26403906

More details:






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

1346597-50-9 [RN]
2,4-Thiomorpholinedicarboxylate de 2-éthyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) 2-ethyl ester [ACD/Index Name]
2-Ethyl 4-(2-methyl-2-propanyl) 2,4-thiomorpholinedicarboxylate [ACD/IUPAC Name]
2-Ethyl-4-(2-methyl-2-propanyl)-2,4-thiomorpholindicarboxylat [German] [ACD/IUPAC Name]
Ethyl N-Boc-2-thiomorpholinecarboxylate
[1346597-50-9] [RN]
4-tert-Butyl 2-ethyl thiomorpholine-2,4-dicarboxylate
626-34-6 [RN]
700-38-9 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 360.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±3.0 kJ/mol
    Flash Point: 172.1±27.9 °C
    Index of Refraction: 1.504
    Molar Refractivity: 70.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.12
    ACD/KOC (pH 5.5): 699.24
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.12
    ACD/KOC (pH 7.4): 699.24
    Polar Surface Area: 81 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 41.6±3.0 dyne/cm
    Molar Volume: 238.3±3.0 cm3

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