ChemSpider 2D Image | 3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid | C6H11NO2S

3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid

  • Molecular FormulaC6H11NO2S
  • Average mass161.222 Da
  • Monoisotopic mass161.051056 Da
  • ChemSpider ID23345696

More details:

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

2H-Thiopyran-3-carboxylic acid, 3-aminotetrahydro- [ACD/Index Name]
39124-24-8 [RN]
3-Aminotetrahydro-2H-thiopyran-3-carbonsäure [German] [ACD/IUPAC Name]
3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid [ACD/IUPAC Name]
Acide 3-aminotétrahydro-2H-thiopyrane-3-carboxylique [French] [ACD/IUPAC Name]
[39124-24-8] [RN]
3-AMINOTETRAHYDRO-2H-THIOPYRAN-3-CARBOXYLICACID
3-aminothiane-3-carboxylic acid
MFCD08669346 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 334.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±6.0 kJ/mol
    Flash Point: 156.2±27.9 °C
    Index of Refraction: 1.571
    Molar Refractivity: 40.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.14
    ACD/LogD (pH 5.5): -2.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 57.1±3.0 dyne/cm
    Molar Volume: 124.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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