ChemSpider 2D Image | (S)-1-Boc-pyrrolidine-2-carbothioamide | C10H18N2O2S

(S)-1-Boc-pyrrolidine-2-carbothioamide

  • Molecular FormulaC10H18N2O2S
  • Average mass230.327 Da
  • Monoisotopic mass230.108902 Da
  • ChemSpider ID21178413

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Carbamothioyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-1-Boc-pyrrolidine-2-carbothioamide
101410-18-8 [RN]
1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-carbamothioyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-carbamothioyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2(s)-thiocarbamoylpyrrolidine-1-carboxylate
(R)-TERT-BUTYL 2-CARBAMOTHIOYLPYRROLIDINE-1-CARBOXYLATE
(S)-1-(tert-butoxycarbonyl)prolinethioamide
(S)-2-Thiocarbamoylpyrrolidine-1-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 339.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 159.1±30.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.59
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 2.88
    ACD/KOC (pH 5.5): 74.31
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 2.89
    ACD/KOC (pH 7.4): 74.32
    Polar Surface Area: 88 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 193.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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