ChemSpider 2D Image | 4,5-Bis[(4-methylphenyl)sulfanyl]phthalonitrile | C22H16N2S2

4,5-Bis[(4-methylphenyl)sulfanyl]phthalonitrile

  • Molecular FormulaC22H16N2S2
  • Average mass372.506 Da
  • Monoisotopic mass372.075500 Da
  • ChemSpider ID28560847

More details:

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

1,2-Benzenedicarbonitrile, 4,5-bis[(4-methylphenyl)thio]- [ACD/Index Name]
4,5-Bis[(4-méthylphényl)sulfanyl]phtalonitrile [French] [ACD/IUPAC Name]
4,5-Bis[(4-methylphenyl)sulfanyl]phthalonitril [German] [ACD/IUPAC Name]
4,5-Bis[(4-methylphenyl)sulfanyl]phthalonitrile [ACD/IUPAC Name]
218598-87-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51963.08
ACD/KOC (pH 5.5): 82618.27
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 51963.08
ACD/KOC (pH 7.4): 82618.27
Polar Surface Area: 98 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 288.2±5.0 cm3

Click to predict properties on the Chemicalize site


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