ChemSpider 2D Image | (2E,4E)-8-Methyl-2,4-bis[(3-methyl-2-thienyl)methylene]-8-azabicyclo[3.2.1]octan-3-one | C20H21NOS2

(2E,4E)-8-Methyl-2,4-bis[(3-methyl-2-thienyl)methylene]-8-azabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC20H21NOS2
  • Average mass355.517 Da
  • Monoisotopic mass355.106445 Da
  • ChemSpider ID21471498

  • 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[(3-methyl-2-thienyl)methylen]-8-azabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(2E,4E)-8-Methyl-2,4-bis[(3-methyl-2-thienyl)methylene]-8-azabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(2E,4E)-8-Méthyl-2,4-bis[(3-méthyl-2-thiényl)méthylène]-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[(3-methyl-2-thienyl)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: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.693
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2454.28
ACD/KOC (pH 5.5): 8400.72
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3480.68
ACD/KOC (pH 7.4): 11914.00
Polar Surface Area: 77 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 277.6±3.0 cm3

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