ChemSpider 2D Image | 3-Aminotetrahydro-3-thiophenecarboxylic acid | C5H9NO2S

3-Aminotetrahydro-3-thiophenecarboxylic acid

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID11345150

More details:

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

32418-99-8 [RN]
3-Aminotetrahydro-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-Aminotetrahydro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Aminotetrahydrothiophene-3-carboxylic acid
3-AMINO-TETRAHYDRO-THIOPHENE-3-CARBOXYLIC ACID
3-Thiophenecarboxylic acid, 3-aminotetrahydro- [ACD/Index Name]
Acide 3-aminotétrahydro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
(S)-3-Aminotetrahydrothiophene-3-carboxylic acid
[114715-53-6] [RN]
[32418-99-8] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 325.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±6.0 kJ/mol
    Flash Point: 150.8±27.9 °C
    Index of Refraction: 1.595
    Molar Refractivity: 36.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.20
    ACD/LogD (pH 5.5): -2.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 64.1±3.0 dyne/cm
    Molar Volume: 106.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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