ChemSpider 2D Image | Dimethyl 2-(5,7-dioxo-6-propyl-6,7-dihydro-5H-[1,3]dithiolo[4,5-f]isoindol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate | C19H15NO6S4

Dimethyl 2-(5,7-dioxo-6-propyl-6,7-dihydro-5H-[1,3]dithiolo[4,5-f]isoindol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate

  • Molecular FormulaC19H15NO6S4
  • Average mass481.586 Da
  • Monoisotopic mass480.978210 Da
  • ChemSpider ID30659332

More details:

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

1,3-Dithiole-4,5-dicarboxylic acid, 2-(6,7-dihydro-5,7-dioxo-6-propyl-5H-1,3-dithiolo[4,5-f]isoindol-2-ylidene)-, dimethyl ester [ACD/Index Name]
2-(5,7-Dioxo-6-propyl-6,7-dihydro-5H-[1,3]dithiolo[4,5-f]isoindol-2-ylidène)-1,3-dithiole-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-(5,7-dioxo-6-propyl-6,7-dihydro-5H-[1,3]dithiolo[4,5-f]isoindol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-2-(5,7-dioxo-6-propyl-6,7-dihydro-5H-[1,3]dithiolo[4,5-f]isoindol-2-yliden)-1,3-dithiol-4,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 560.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.734
Molar Refractivity: 120.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.85
ACD/KOC (pH 5.5): 1448.17
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.85
ACD/KOC (pH 7.4): 1448.17
Polar Surface Area: 191 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

Click to predict properties on the Chemicalize site


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