ChemSpider 2D Image | 2-(Methylsulfonyl)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole | C12H14N2O5S3

2-(Methylsulfonyl)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole

  • Molecular FormulaC12H14N2O5S3
  • Average mass362.445 Da
  • Monoisotopic mass362.006470 Da
  • ChemSpider ID23081095

More details:

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

2-(Methylsulfonyl)-6-(4-morpholinylsulfonyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-(Méthylsulfonyl)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
2-(methylsulfonyl)-6-(morpholin-4-ylsulfonyl)-1,3-benzothiazole
Benzothiazole, 2-(methylsulfonyl)-6-(4-morpholinylsulfonyl)- [ACD/Index Name]
1171243-94-9 [RN]
4-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
MFCD12972435

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 584.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±3.0 kJ/mol
    Flash Point: 307.5±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 84.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.76
    ACD/KOC (pH 5.5): 89.86
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.76
    ACD/KOC (pH 7.4): 89.86
    Polar Surface Area: 139 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 64.4±3.0 dyne/cm
    Molar Volume: 234.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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