ChemSpider 2D Image | 3-[(6-Ethoxy-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl)carbonyl]-9H-thioxanthen-9-one 10,10-dioxide | C28H27NO5S

3-[(6-Ethoxy-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl)carbonyl]-9H-thioxanthen-9-one 10,10-dioxide

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID21939577

More details:

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

10,10-Dioxyde de 3-[(6-éthoxy-2,2,4-triméthyl-3,4-dihydro-1(2H)-quinoléinyl)carbonyl]-9H-thioxanthén-9-one [French] [ACD/IUPAC Name]
3-[(6-Ethoxy-2,2,4-trimethyl-3,4-dihydro-1(2H)-chinolinyl)carbonyl]-9H-thioxanthen-9-on-10,10-dioxid [German] [ACD/IUPAC Name]
3-[(6-Ethoxy-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl)carbonyl]-9H-thioxanthen-9-one 10,10-dioxide [ACD/IUPAC Name]
9H-Thioxanthen-9-one, 3-[(6-ethoxy-3,4-dihydro-2,2,4-trimethyl-1(2H)-quinolinyl)carbonyl]-, 10,10-dioxide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1681.64
ACD/KOC (pH 5.5): 7088.86
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1681.64
ACD/KOC (pH 7.4): 7088.86
Polar Surface Area: 89 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 383.0±3.0 cm3

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