ChemSpider 2D Image | 2,8-Diethyl-3,9-dithioxo-2,3,5,6,8,9-hexahydro-1H,4H,7H-2,3a,6a,8-tetraazaphenalene-1,7-dione | C13H16N4O2S2

2,8-Diethyl-3,9-dithioxo-2,3,5,6,8,9-hexahydro-1H,4H,7H-2,3a,6a,8-tetraazaphenalene-1,7-dione

  • Molecular FormulaC13H16N4O2S2
  • Average mass324.422 Da
  • Monoisotopic mass324.071472 Da
  • ChemSpider ID21126222

More details:

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

1H,4H,7H-2,3a,6a,8-Tetraazaphenalene-1,7-dione, 2,8-diethyl-2,3,5,6,8,9-hexahydro-3,9-dithioxo- [ACD/Index Name]
2,8-Diethyl-3,9-dithioxo-2,3,5,6,8,9-hexahydro-1H,4H,7H-2,3a,6a,8-tetraazaphenalen-1,7-dion [German] [ACD/IUPAC Name]
2,8-Diethyl-3,9-dithioxo-2,3,5,6,8,9-hexahydro-1H,4H,7H-2,3a,6a,8-tetraazaphenalene-1,7-dione [ACD/IUPAC Name]
2,8-Diéthyl-3,9-dithioxo-2,3,5,6,8,9-hexahydro-1H,4H,7H-2,3a,6a,8-tétraazaphénalène-1,7-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 416.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.5±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.64
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.64
Polar Surface Area: 111 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 210.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement