ChemSpider 2D Image | tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate | C10H17NO2S

tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate

  • Molecular FormulaC10H17NO2S
  • Average mass215.313 Da
  • Monoisotopic mass215.097992 Da
  • ChemSpider ID48057189

More details:

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

1520084-10-9 [RN]
2-Methyl-2-propanyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-thia-6-azabicyclo[3.1.1]heptan-6-carboxylat [German] [ACD/IUPAC Name]
3-Thia-6-azabicyclo[3.1.1]heptane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Thia-6-azabicyclo[3.1.1]heptane-6-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate
MFCD28501539
tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate(wxc00722)
tert-butyl3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 303.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.4±3.0 kJ/mol
    Flash Point: 137.5±25.9 °C
    Index of Refraction: 1.543
    Molar Refractivity: 57.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.44
    ACD/KOC (pH 5.5): 438.37
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.44
    ACD/KOC (pH 7.4): 438.37
    Polar Surface Area: 55 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 182.9±3.0 cm3

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