Found 1 result

Search term: COYRDEGJZVHVRF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,9-Dithiatetracyclo[9.6.6.0~12,17~.0~18,23~]tricosa-1(17),11,13,15,18(23),19,21-heptaene | C21H22S2

3,9-Dithiatetracyclo[9.6.6.012,17.018,23]tricosa-1(17),11,13,15,18(23),19,21-heptaene

  • Molecular FormulaC21H22S2
  • Average mass338.529 Da
  • Monoisotopic mass338.116302 Da
  • ChemSpider ID74838945

More details:

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

3,9-Dithiatetracyclo[9.6.6.012,17.018,23]tricosa-1(17),11,13,15,18(23),19,21-heptaen [German] [ACD/IUPAC Name]
3,9-Dithiatetracyclo[9.6.6.012,17.018,23]tricosa-1(17),11,13,15,18(23),19,21-heptaene [ACD/IUPAC Name]
3,9-Dithiatétracyclo[9.6.6.012,17.018,23]tricosa-1(17),11,13,15,18(23),19,21-heptaène [French] [ACD/IUPAC Name]
9,10-(Methanothiopentanothiomethano)anthracene [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 314.6±27.2 °C
Index of Refraction: 1.668
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 188865.48
ACD/KOC (pH 5.5): 208087.45
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 188865.48
ACD/KOC (pH 7.4): 208087.45
Polar Surface Area: 51 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement