ChemSpider 2D Image | 4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}phthalonitrile | C24H22N4S2

4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}phthalonitrile

  • Molecular FormulaC24H22N4S2
  • Average mass430.588 Da
  • Monoisotopic mass430.128601 Da
  • ChemSpider ID28560848

More details:

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

1,2-Benzenedicarbonitrile, 4,5-bis[[3-(dimethylamino)phenyl]thio]- [ACD/Index Name]
4,5-Bis{[3-(diméthylamino)phényl]sulfanyl}phtalonitrile [French] [ACD/IUPAC Name]
4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}phthalonitril [German] [ACD/IUPAC Name]
4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}phthalonitrile [ACD/IUPAC Name]
4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}benzene-1,2-dicarbonitrile
515124-02-4 [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: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 23707.10
ACD/KOC (pH 5.5): 46576.07
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24666.69
ACD/KOC (pH 7.4): 48461.32
Polar Surface Area: 105 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

Click to predict properties on the Chemicalize site


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