ChemSpider 2D Image | 3,9-Dithia-6-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene | C12H17NS2

3,9-Dithia-6-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene

  • Molecular FormulaC12H17NS2
  • Average mass239.400 Da
  • Monoisotopic mass239.080246 Da
  • ChemSpider ID30661522

More details:

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

3,9-Dithia-6-azabicyclo[9.2.2]pentadeca-1(13),11,14-trien [German] [ACD/IUPAC Name]
3,9-Dithia-6-azabicyclo[9.2.2]pentadeca-1(13),11,14-triene [ACD/IUPAC Name]
3,9-Dithia-6-azabicyclo[9.2.2]pentadéca-1(13),11,14-triène [French] [ACD/IUPAC Name]
3,9-Dithia-6-azabicyclo[9.2.2]pentadeca-11,13,14-triene [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 418.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 15.04
ACD/KOC (pH 7.4): 90.91
Polar Surface Area: 63 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


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