ChemSpider 2D Image | tert-butyl 2-[6-(cyclohexylsulfanyl)pyridin-3-yl]pyrrolidine-1-carboxylate | C20H30N2O2S

tert-butyl 2-[6-(cyclohexylsulfanyl)pyridin-3-yl]pyrrolidine-1-carboxylate

  • Molecular FormulaC20H30N2O2S
  • Average mass362.529 Da
  • Monoisotopic mass362.202789 Da
  • ChemSpider ID35478720

More details:

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

1352493-15-2 [RN]
1-Pyrrolidinecarboxylic acid, 2-[6-(cyclohexylthio)-3-pyridinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[6-(Cyclohexylsulfanyl)-3-pyridinyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[6-(cyclohexylsulfanyl)-3-pyridinyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[6-(cyclohexylsulfanyl)-3-pyridinyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-[6-(cyclohexylsulfanyl)pyridin-3-yl]pyrrolidine-1-carboxylate
2-(6-Cyclohexylsulfanyl-pyridin-3-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD20533214
tert-Butyl 2-(6-(cyclohexylthio)pyridin-3-yl)pyrrolidine-1-carboxylate
tert-butyl 2-(6-cyclohexylsulfanylpyridin-3-yl)pyrrolidine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 492.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.9±3.0 kJ/mol
    Flash Point: 251.6±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 103.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.62
    ACD/LogD (pH 5.5): 4.64
    ACD/BCF (pH 5.5): 1978.82
    ACD/KOC (pH 5.5): 7956.40
    ACD/LogD (pH 7.4): 4.64
    ACD/BCF (pH 7.4): 1985.92
    ACD/KOC (pH 7.4): 7984.95
    Polar Surface Area: 68 Å2
    Polarizability: 41.1±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 315.4±5.0 cm3

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