ChemSpider 2D Image | (1,1-Dioxidotetrahydro-3-thiophenyl)acetonitrile | C6H9NO2S

(1,1-Dioxidotetrahydro-3-thiophenyl)acetonitrile

  • Molecular FormulaC6H9NO2S
  • Average mass159.206 Da
  • Monoisotopic mass159.035400 Da
  • ChemSpider ID27030139

More details:

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

(1,1-Dioxidotetrahydro-3-thiophenyl)acetonitril [German] [ACD/IUPAC Name]
(1,1-Dioxidotetrahydro-3-thiophenyl)acetonitrile [ACD/IUPAC Name]
(1,1-Dioxydotétrahydro-3-thiophényl)acétonitrile [French] [ACD/IUPAC Name]
3-Thiopheneacetonitrile, tetrahydro-, 1,1-dioxide [ACD/Index Name]
(1,1-dioxidotetrahydro-3-thienyl)acetonitrile
17236-09-8 [RN]
2-(1,1-Dioxidotetrahydrothiophen-3-yl)acetonitrile
2-(1,1-dioxo-1??-thiolan-3-yl)acetonitrile
2-(1,1-dioxo-1λ6-thiolan-3-yl)acetonitrile
2-(1,1-dioxothiolan-3-yl)acetonitrile
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: 422.2±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 209.1±21.2 °C
    Index of Refraction: 1.490
    Molar Refractivity: 36.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.42
    ACD/LogD (pH 5.5): -0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.82
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.82
    Polar Surface Area: 66 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 126.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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