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Search term: MF = 'C_{8}H_{15}NO_{2}S'
ChemSpider 2D Image | tert-Butyl 3-sulfanylazetidine-1-carboxylate | C8H15NO2S

tert-Butyl 3-sulfanylazetidine-1-carboxylate

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID29784049

More details:

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

1-Azetidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-sulfanyl-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-sulfanyl-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Sulfanyl-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
941585-25-7 [RN]
tert-Butyl 3-sulfanylazetidine-1-carboxylate
1-Boc-3-mercaptoazetidine
1-Boc-3-mercapto-azetidine
AK165426
Chemistry 5255
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 255.2±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.3±3.0 kJ/mol
    Flash Point: 108.1±25.4 °C
    Index of Refraction: 1.515
    Molar Refractivity: 50.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.46
    ACD/KOC (pH 5.5): 211.76
    ACD/LogD (pH 7.4): 1.74
    ACD/BCF (pH 7.4): 12.43
    ACD/KOC (pH 7.4): 211.23
    Polar Surface Area: 68 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 39.2±5.0 dyne/cm
    Molar Volume: 167.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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