ChemSpider 2D Image | 3-Thietanecarbonitrile | C4H5NS

3-Thietanecarbonitrile

  • Molecular FormulaC4H5NS
  • Average mass99.154 Da
  • Monoisotopic mass99.014267 Da
  • ChemSpider ID44751567

More details:

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

1337882-54-8 [RN]
3-Thietancarbonitril [German] [ACD/IUPAC Name]
3-Thietanecarbonitrile [ACD/Index Name] [ACD/IUPAC Name]
3-Thiétanecarbonitrile [French] [ACD/IUPAC Name]
thietane-3-carbonitrile
atoms 6 bonds 6
MFCD19982302

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 238.2±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.5±3.0 kJ/mol
    Flash Point: 97.9±25.4 °C
    Index of Refraction: 1.541
    Molar Refractivity: 26.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.18
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.33
    ACD/KOC (pH 5.5): 42.68
    ACD/LogD (pH 7.4): 0.47
    ACD/BCF (pH 7.4): 1.33
    ACD/KOC (pH 7.4): 42.68
    Polar Surface Area: 49 Å2
    Polarizability: 10.5±0.5 10-24cm3
    Surface Tension: 47.0±5.0 dyne/cm
    Molar Volume: 84.1±5.0 cm3

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