ChemSpider 2D Image | N,N-Diisopropyl-4-isothiocyanatobenzenesulfonamide | C13H18N2O2S2

N,N-Diisopropyl-4-isothiocyanatobenzenesulfonamide

  • Molecular FormulaC13H18N2O2S2
  • Average mass298.424 Da
  • Monoisotopic mass298.080963 Da
  • ChemSpider ID21329990

More details:

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

4-Isothiocyanato-N,N-bis(1-methylethyl)benzenesulfonamide
4-isothiocyanato-N,N-bis(propan-2-yl)benzene-1-sulfonamide
4-isothiocyanato-N,N-di(propan-2-yl)benzenesulfonamide
956576-76-4 [RN]
Benzenesulfonamide, 4-isothiocyanato-N,N-bis(1-methylethyl)- [ACD/Index Name]
N,N-Diisopropyl-4-isothiocyanatobenzenesulfonamide [ACD/IUPAC Name]
N,N-Diisopropyl-4-isothiocyanatobenzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Diisopropyl-4-isothiocyanatobenzolsulfonamid [German] [ACD/IUPAC Name]
4-{[bis(methylethyl)amino]sulfonyl}benzenisothiocyanate
VS-14368

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

MFCD09971968 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 416.9±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 206.0±29.3 °C
    Index of Refraction: 1.568
    Molar Refractivity: 83.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.08
    ACD/BCF (pH 5.5): 745.18
    ACD/KOC (pH 5.5): 3958.81
    ACD/LogD (pH 7.4): 4.08
    ACD/BCF (pH 7.4): 745.18
    ACD/KOC (pH 7.4): 3958.81
    Polar Surface Area: 90 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 38.9±7.0 dyne/cm
    Molar Volume: 254.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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