ChemSpider 2D Image | 5-[4,5-Bis(benzylsulfanyl)-1,3-dithiol-2-ylidene]-5H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridine | C28H20N2S4

5-[4,5-Bis(benzylsulfanyl)-1,3-dithiol-2-ylidene]-5H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridine

  • Molecular FormulaC28H20N2S4
  • Average mass512.732 Da
  • Monoisotopic mass512.050903 Da
  • ChemSpider ID30655537

More details:

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

5-[4,5-Bis(benzylsulfanyl)-1,3-dithiol-2-yliden]-5H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridin [German] [ACD/IUPAC Name]
5-[4,5-Bis(benzylsulfanyl)-1,3-dithiol-2-ylidene]-5H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridine [ACD/IUPAC Name]
5-[4,5-Bis(benzylsulfanyl)-1,3-dithiol-2-ylidène]-5H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridine [French] [ACD/IUPAC Name]
5H-Cyclopenta[1,2-b:5,4-b']dipyridine, 5-[4,5-bis[(phenylmethyl)thio]-1,3-dithiol-2-ylidene]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.795
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 272400.47
ACD/KOC (pH 5.5): 270288.78
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 272985.50
ACD/KOC (pH 7.4): 270869.28
Polar Surface Area: 127 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

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