ChemSpider 2D Image | [Isothiocyanato(~2~H_2_)methyl](~2~H_5_)benzene | C8D7NS

[Isothiocyanato(2H2)methyl](2H5)benzene

  • Molecular FormulaC8D7NS
  • Average mass156.256 Da
  • Monoisotopic mass156.073853 Da
  • ChemSpider ID62951288

  • Non-standard isotope - Non-standard isotope

More details:

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

[Isothiocyanato(2H2)methyl](2H5)benzene [ACD/IUPAC Name]
[Isothiocyanato(2H2)méthyl](2H5)benzène [French] [ACD/IUPAC Name]
[Isothiocyanato(2H2)methyl](2H5)benzol [German] [ACD/IUPAC Name]
Benzene-1,2,3,4,5-d5, 6-(isothiocyanatomethyl-d2)- [ACD/Index Name]
1,2,3,4,5-pentadeuterio-6-[dideuterio(isothiocyanato)methyl]benzene
1246818-63-2 [RN]
benzyl isothiocyanate-d7

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 243.8±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.1±3.0 kJ/mol
    Flash Point: 100.4±26.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 47.2±0.5 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 191.99
    ACD/KOC (pH 5.5): 1499.60
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 191.99
    ACD/KOC (pH 7.4): 1499.60
    Polar Surface Area: 44 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 35.7±7.0 dyne/cm
    Molar Volume: 146.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement