ChemSpider 2D Image | (2E,4E)-8-Methyl-2,4-bis[4-(methylsulfanyl)benzylidene]-8-azabicyclo[3.2.1]octan-3-one | C24H25NOS2

(2E,4E)-8-Methyl-2,4-bis[4-(methylsulfanyl)benzylidene]-8-azabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC24H25NOS2
  • Average mass407.591 Da
  • Monoisotopic mass407.137756 Da
  • ChemSpider ID68061595

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-8-Methyl-2,4-bis[4-(methylsulfanyl)benzyliden]-8-azabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(2E,4E)-8-Methyl-2,4-bis[4-(methylsulfanyl)benzylidene]-8-azabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(2E,4E)-8-Méthyl-2,4-bis[4-(méthylsulfanyl)benzylidène]-8-azabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-2,4-bis[[4-(methylthio)phenyl]methylene]-, (2E,4E)- [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: 618.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 8724.04
ACD/KOC (pH 5.5): 18861.45
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17398.48
ACD/KOC (pH 7.4): 37615.68
Polar Surface Area: 71 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement