ChemSpider 2D Image | 6-(4-Bromophenyl)-4-(4-chlorophenyl)-2-thioxo-2,3-dihydro-3-pyridinecarbonitrile | C18H10BrClN2S

6-(4-Bromophenyl)-4-(4-chlorophenyl)-2-thioxo-2,3-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC18H10BrClN2S
  • Average mass401.707 Da
  • Monoisotopic mass399.943665 Da
  • ChemSpider ID28469550

More details:

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

3-Pyridinecarbonitrile, 6-(4-bromophenyl)-4-(4-chlorophenyl)-2,3-dihydro-2-thioxo- [ACD/Index Name]
6-(4-Bromophenyl)-4-(4-chlorophenyl)-2-thioxo-2,3-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
6-(4-Bromophényl)-4-(4-chlorophényl)-2-thioxo-2,3-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
6-(4-Bromphenyl)-4-(4-chlorphenyl)-2-thioxo-2,3-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1400540-49-9 [RN]
6-(4-BROMOPHENYL)-4-(4-CHLOROPHENYL)-2-SULFANYLIDENE-3H-PYRIDINE-3-CARBONITRILE
6-(4-bromophenyl)-4-(4-chlorophenyl)-2-thioxo-2,3-dihydropyridine-3-carbonitrile
6-(4-Bromo-phenyl)-4-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-pyridine-3-carbonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.0±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3143.71
ACD/KOC (pH 5.5): 11093.39
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3143.71
ACD/KOC (pH 7.4): 11093.39
Polar Surface Area: 68 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 268.9±7.0 cm3

Click to predict properties on the Chemicalize site


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