ChemSpider 2D Image | 3-Methyl-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-imine | C9H10N2O2S2

3-Methyl-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-imine

  • Molecular FormulaC9H10N2O2S2
  • Average mass242.318 Da
  • Monoisotopic mass242.018372 Da
  • ChemSpider ID26565062

More details:

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

2(3H)-Benzothiazolimine, 3-methyl-6-(methylsulfonyl)- [ACD/Index Name]
3-Methyl-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-imin [German] [ACD/IUPAC Name]
3-Methyl-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-imine [ACD/IUPAC Name]
3-Méthyl-6-(méthylsulfonyl)-1,3-benzothiazol-2(3H)-imine [French] [ACD/IUPAC Name]
1286699-99-7 [RN]
3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-imine
3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-imine
6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine
MFCD22587638

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 453.0±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.8±30.4 °C
    Index of Refraction: 1.696
    Molar Refractivity: 62.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.42
    ACD/LogD (pH 5.5): 0.60
    ACD/BCF (pH 5.5): 1.62
    ACD/KOC (pH 5.5): 46.61
    ACD/LogD (pH 7.4): 0.68
    ACD/BCF (pH 7.4): 1.95
    ACD/KOC (pH 7.4): 56.03
    Polar Surface Area: 95 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 60.4±7.0 dyne/cm
    Molar Volume: 161.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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