ChemSpider 2D Image | 3,10-Dithiatricyclo[10.2.2.2~5,8~]octadeca-1(14),5,7,12,15,17-hexaene | C16H16S2

3,10-Dithiatricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene

  • Molecular FormulaC16H16S2
  • Average mass272.428 Da
  • Monoisotopic mass272.069336 Da
  • ChemSpider ID19241391

More details:

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

3,10-Dithiatricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaen [German] [ACD/IUPAC Name]
3,10-Dithiatricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene [ACD/IUPAC Name]
3,10-Dithiatricyclo[10.2.2.25,8]octadéca-1(14),5,7,12,15,17-hexaène [French] [ACD/IUPAC Name]
3,10-Dithiatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene [ACD/Index Name]
[28667-63-2] [RN]
2,11-Dithia[3.3]paracyclophane
28667-63-2 [RN]
3,10-dithiatricyclo[10.2.2.2?,?]octadeca-1(14),5,7,12,15,17-hexaene
3,10-Dithiatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene
MFCD00191410

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 255.8±25.8 °C
Index of Refraction: 1.630
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5564.07
ACD/KOC (pH 5.5): 16693.38
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5564.07
ACD/KOC (pH 7.4): 16693.38
Polar Surface Area: 51 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

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