ChemSpider 2D Image | 5-(1,3-Dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazole | C8H6N2S3

5-(1,3-Dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazole

  • Molecular FormulaC8H6N2S3
  • Average mass226.342 Da
  • Monoisotopic mass225.969315 Da
  • ChemSpider ID28578775

More details:

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

4H-Cyclopenta[c][1,2,5]thiadiazole, 5-(1,3-dithiol-2-ylidene)-5,6-dihydro- [ACD/Index Name]
5-(1,3-Dithiol-2-yliden)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazol [German] [ACD/IUPAC Name]
5-(1,3-Dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazole [ACD/IUPAC Name]
5-(1,3-Dithiol-2-ylidène)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazole [French] [ACD/IUPAC Name]
192571-97-4 [RN]
4H-CYCLOPENTA[1,2,5]THIADIAZOLE, 5-(1,3-DITHIOL-2-YLIDENE)-5,6-DIHYDRO-
5-(2H-1,3-Dithiol-2-ylidene)-5,6-dihydro-4H-cyclopenta[c][1,2,5]thiadiazole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 369.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 177.2±27.9 °C
Index of Refraction: 1.823
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.65
ACD/KOC (pH 5.5): 1302.35
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.65
ACD/KOC (pH 7.4): 1302.35
Polar Surface Area: 105 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 94.9±3.0 dyne/cm
Molar Volume: 138.3±3.0 cm3

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