ChemSpider 2D Image | 1-boc-4-phenyl-pyrrolidine-2-carbothioic acid amide | C16H22N2O2S

1-boc-4-phenyl-pyrrolidine-2-carbothioic acid amide

  • Molecular FormulaC16H22N2O2S
  • Average mass306.423 Da
  • Monoisotopic mass306.140198 Da
  • ChemSpider ID28562239

More details:

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

1-boc-4-phenyl-pyrrolidine-2-carbothioic acid amide
1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-4-phenyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Carbamothioyl-4-phényl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-carbamothioyl-4-phenyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-carbamothioyl-4-phenyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
885277-70-3 [RN]
tert-Butyl 2-carbamothioyl-4-phenylpyrrolidine-1-carboxylate
[885277-70-3] [RN]
1-boc-4-phenylpyrrolidine-2-carbothioic acid amide
1-BOC-4-PHENYL-PYRROLIDINE-2-CARBOTHIOICACIDAMIDE
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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: 442.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.6±31.5 °C
    Index of Refraction: 1.588
    Molar Refractivity: 86.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 85.00
    ACD/KOC (pH 5.5): 836.88
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 85.00
    ACD/KOC (pH 7.4): 836.93
    Polar Surface Area: 88 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 257.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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