ChemSpider 2D Image | 4,7-Bis[(4-methylphenyl)sulfonyl]-1,4,7-thiadiazonane | C20H26N2O4S3

4,7-Bis[(4-methylphenyl)sulfonyl]-1,4,7-thiadiazonane

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID24784419

More details:

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

1,4,7-Thiadiazonine, octahydro-4,7-bis[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
4,7-Bis[(4-methylphenyl)sulfonyl]-1,4,7-thiadiazonan [German] [ACD/IUPAC Name]
4,7-Bis[(4-methylphenyl)sulfonyl]-1,4,7-thiadiazonane [ACD/IUPAC Name]
4,7-Bis[(4-méthylphényl)sulfonyl]-1,4,7-thiadiazonane [French] [ACD/IUPAC Name]
4,7-Bis(4-methylbenzene-1-sulfonyl)-1,4,7-thiadiazonane
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-thiadiazonane
4,7-ditosyl-1,4,7-thiadiazonane (en)
88204-13-1 [RN]
AGN-PC-0JE4CL
AKOS016035233
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 631.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 335.7±34.3 °C
    Index of Refraction: 1.604
    Molar Refractivity: 119.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.26
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 552.46
    ACD/KOC (pH 5.5): 3195.50
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 552.46
    ACD/KOC (pH 7.4): 3195.50
    Polar Surface Area: 117 Å2
    Polarizability: 47.5±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 348.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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