ChemSpider 2D Image | 6-(2,4-Dichlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C13H8Cl2N2OS

6-(2,4-Dichlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC13H8Cl2N2OS
  • Average mass311.186 Da
  • Monoisotopic mass309.973450 Da
  • ChemSpider ID30438279

More details:

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

3-Pyridinecarbonitrile, 6-(2,4-dichlorophenyl)-1,2-dihydro-4-(methylthio)-2-oxo- [ACD/Index Name]
6-(2,4-Dichlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
6-(2,4-Dichlorophényl)-4-(méthylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
6-(2,4-Dichlorphenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1241724-49-1 [RN]
6-(2,4-dichlorophenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
AR-270/43409608
ILVLJCGHSKGWIU-UHFFFAOYSA-N
MCULE-6603776618
MolPort-009-016-294

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 459.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 231.5±28.7 °C
    Index of Refraction: 1.673
    Molar Refractivity: 77.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 137.00
    ACD/KOC (pH 5.5): 1018.69
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 6.41
    ACD/KOC (pH 7.4): 47.63
    Polar Surface Area: 78 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 65.1±5.0 dyne/cm
    Molar Volume: 207.0±5.0 cm3

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