ChemSpider 2D Image | 3-Amino-3-thietanecarboxylic acid | C4H7NO2S

3-Amino-3-thietanecarboxylic acid

  • Molecular FormulaC4H7NO2S
  • Average mass133.169 Da
  • Monoisotopic mass133.019745 Da
  • ChemSpider ID24197175

More details:

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

138650-26-7 [RN]
3-Amino-3-thietancarbonsäure [German] [ACD/IUPAC Name]
3-Amino-3-thietanecarboxylic acid [ACD/IUPAC Name]
3-Aminothietane-3-carboxylic acid
3-Thietanecarboxylic acid, 3-amino- [ACD/Index Name]
Acide 3-amino-3-thiétanecarboxylique [French] [ACD/IUPAC Name]
[138650-26-7] [RN]
1H-pyrrolo[3,2-c]pyridin-3-ylmethanamine
3-Aminothietane-3-carboxylicacid
3-AMMONIOTHIETANE-3-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 320.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±6.0 kJ/mol
    Flash Point: 147.6±27.9 °C
    Index of Refraction: 1.630
    Molar Refractivity: 31.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.47
    ACD/LogD (pH 5.5): -2.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 12.5±0.5 10-24cm3
    Surface Tension: 75.1±3.0 dyne/cm
    Molar Volume: 88.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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