ChemSpider 2D Image | 7,9-Dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione | C6H8N2O2S4

7,9-Dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione

  • Molecular FormulaC6H8N2O2S4
  • Average mass268.400 Da
  • Monoisotopic mass267.946869 Da
  • ChemSpider ID57453281

More details:

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

2,3,4,5-Tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 7,9-dimethyl- [ACD/Index Name]
31964-23-5 [RN]
7,9-Dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decan-8,10-dion [German] [ACD/IUPAC Name]
7,9-Dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione [ACD/IUPAC Name]
7,9-Diméthyl-2,3,4,5-tétrathia-7,9-diazabicyclo[4.2.2]décane-8,10-dione [French] [ACD/IUPAC Name]
2,3,4,5-TETRATHIA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE,7,9-DIMETHYL-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 581.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.5±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.77
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 63.77
Polar Surface Area: 142 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

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