ChemSpider 2D Image | (6S,7S)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol | C10H17N3OS

(6S,7S)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

  • Molecular FormulaC10H17N3OS
  • Average mass227.327 Da
  • Monoisotopic mass227.109238 Da
  • ChemSpider ID32806722

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol [German] [ACD/IUPAC Name]
(6S,7S)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol [ACD/IUPAC Name]
(6S,7S)-2-Amino-6-(propylamino)-4,5,6,7-tétrahydro-1,3-benzothiazol-7-ol [French] [ACD/IUPAC Name]
7-Benzothiazolol, 2-amino-4,5,6,7-tetrahydro-6-(propylamino)-, (6S,7S)- [ACD/Index Name]
(6S,7S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)-7-benzothiazolol
1001648-71-0 [RN]
1798014-87-5 [RN]
rac-cis-7-hydroxy pramipexole
rac-cis-7-Hydroxy-Pramipexole

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 438.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 219.1±28.7 °C
    Index of Refraction: 1.609
    Molar Refractivity: 61.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.04
    ACD/LogD (pH 5.5): -2.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.85
    Polar Surface Area: 99 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 62.6±5.0 dyne/cm
    Molar Volume: 178.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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