ChemSpider 2D Image | 4-Isothiocyanato-N-(2-methylphenyl)benzenesulfonamide | C14H12N2O2S2

4-Isothiocyanato-N-(2-methylphenyl)benzenesulfonamide

  • Molecular FormulaC14H12N2O2S2
  • Average mass304.387 Da
  • Monoisotopic mass304.034027 Da
  • ChemSpider ID21329978

More details:

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

107920-20-7 [RN]
4-ISOTHIOCYANATO-N-(2-METHYLPHENYL)BENZENE-1-SULFONAMIDE
4-Isothiocyanato-N-(2-methylphenyl)benzenesulfonamide [ACD/IUPAC Name]
4-Isothiocyanato-N-(2-méthylphényl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Isothiocyanato-N-(2-methylphenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-isothiocyanato-N-(2-methylphenyl)- [ACD/Index Name]
4-Isothiocyanato-N-(2-methylphenyl)-benzenesulfonamide
4-isothiocyanato-N-(o-tolyl)benzenesulfonamide
VS-06631

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

MFCD09971954 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 471.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 239.0±31.5 °C
    Index of Refraction: 1.631
    Molar Refractivity: 85.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.52
    ACD/LogD (pH 5.5): 4.09
    ACD/BCF (pH 5.5): 762.27
    ACD/KOC (pH 5.5): 4020.58
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 631.47
    ACD/KOC (pH 7.4): 3330.66
    Polar Surface Area: 99 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 238.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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