ChemSpider 2D Image | 3,5-Bis(benzylsulfanyl)-1,2,4-thiadiazole | C16H14N2S3

3,5-Bis(benzylsulfanyl)-1,2,4-thiadiazole

  • Molecular FormulaC16H14N2S3
  • Average mass330.491 Da
  • Monoisotopic mass330.031921 Da
  • ChemSpider ID30208844

More details:

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

1,2,4-Thiadiazole, 3,5-bis[(phenylmethyl)thio]- [ACD/Index Name]
3,5-Bis(benzylsulfanyl)-1,2,4-thiadiazol [German] [ACD/IUPAC Name]
3,5-Bis(benzylsulfanyl)-1,2,4-thiadiazole [ACD/IUPAC Name]
3,5-Bis(benzylsulfanyl)-1,2,4-thiadiazole [French] [ACD/IUPAC Name]
82585-22-6 [RN]
AGN-PC-08YJ3T
AN-584/43408153

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 507.4±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 260.7±30.9 °C
    Index of Refraction: 1.700
    Molar Refractivity: 95.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.97
    ACD/LogD (pH 5.5): 5.37
    ACD/BCF (pH 5.5): 7148.65
    ACD/KOC (pH 5.5): 19973.06
    ACD/LogD (pH 7.4): 5.37
    ACD/BCF (pH 7.4): 7148.65
    ACD/KOC (pH 7.4): 19973.06
    Polar Surface Area: 105 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 69.2±5.0 dyne/cm
    Molar Volume: 246.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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