ChemSpider 2D Image | N-[(6S)-2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide | C9H13N3OS

N-[(6S)-2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide

  • Molecular FormulaC9H13N3OS
  • Average mass211.284 Da
  • Monoisotopic mass211.077927 Da
  • ChemSpider ID32790016

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]- [ACD/Index Name]
N-[(6S)-2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamid [German] [ACD/IUPAC Name]
N-[(6S)-2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide [ACD/IUPAC Name]
N-[(6S)-2-Amino-4,5,6,7-tétrahydro-1,3-benzothiazol-6-yl]acétamide [French] [ACD/IUPAC Name]
(s)-n-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide
1867177-06-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 503.3±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 258.2±27.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 55.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.37
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.48
    ACD/KOC (pH 5.5): 38.90
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 2.69
    ACD/KOC (pH 7.4): 70.39
    Polar Surface Area: 96 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 62.1±5.0 dyne/cm
    Molar Volume: 161.2±5.0 cm3

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