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Search term: MF = 'C_{8}H_{6}INS'
ChemSpider 2D Image | 5-Iodo-2-(methylsulfanyl)benzonitrile | C8H6INS

5-Iodo-2-(methylsulfanyl)benzonitrile

  • Molecular FormulaC8H6INS
  • Average mass275.109 Da
  • Monoisotopic mass274.926544 Da
  • ChemSpider ID73986102

More details:

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

5-Iod-2-(methylsulfanyl)benzonitril [German] [ACD/IUPAC Name]
5-Iodo-2-(methylsulfanyl)benzonitrile [ACD/IUPAC Name]
5-Iodo-2-(méthylsulfanyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-iodo-2-(methylthio)- [ACD/Index Name]
1161499-58-6 [RN]
5-iodo-2-(methylthio)benzonitrile

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 321.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 148.3±26.5 °C
    Index of Refraction: 1.683
    Molar Refractivity: 56.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 3.40
    ACD/BCF (pH 5.5): 227.04
    ACD/KOC (pH 5.5): 1690.83
    ACD/LogD (pH 7.4): 3.40
    ACD/BCF (pH 7.4): 227.04
    ACD/KOC (pH 7.4): 1690.83
    Polar Surface Area: 49 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 150.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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