ChemSpider 2D Image | 2-(Methylsulfonyl)isonicotinonitrile | C7H6N2O2S

2-(Methylsulfonyl)isonicotinonitrile

  • Molecular FormulaC7H6N2O2S
  • Average mass182.200 Da
  • Monoisotopic mass182.014999 Da
  • ChemSpider ID25993266

More details:

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

2-(Methylsulfonyl)-4-pyridinecarbonitrile
2-(Methylsulfonyl)isonicotinonitril [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)isonicotinonitrile [ACD/IUPAC Name]
2-(Méthylsulfonyl)isonicotinonitrile [French] [ACD/IUPAC Name]
2-methanesulfonylpyridine-4-carbonitrile
4-Pyridinecarbonitrile, 2-(methylsulfonyl)- [ACD/Index Name]
66154-69-6 [RN]
2-methanesulfonyl-isonicotinonitrile
MFCD14705772 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 396.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.8±27.9 °C
    Index of Refraction: 1.573
    Molar Refractivity: 42.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.40
    ACD/LogD (pH 5.5): 0.51
    ACD/BCF (pH 5.5): 1.43
    ACD/KOC (pH 5.5): 44.94
    ACD/LogD (pH 7.4): 0.51
    ACD/BCF (pH 7.4): 1.43
    ACD/KOC (pH 7.4): 44.94
    Polar Surface Area: 79 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 64.9±5.0 dyne/cm
    Molar Volume: 129.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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