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

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

Click to predict properties on the Chemicalize site






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