ChemSpider 2D Image | (E,E)-N,N'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis[1-(2-thienyl)methanimine] | C17H20N2O2S2

(E,E)-N,N'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis[1-(2-thienyl)methanimine]

  • Molecular FormulaC17H20N2O2S2
  • Average mass348.483 Da
  • Monoisotopic mass348.096619 Da
  • ChemSpider ID30657402

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(E,E)-N,N'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolan-4,5-diyl]dimethylen}bis[1-(2-thienyl)methanimin] [German] [ACD/IUPAC Name]
(E,E)-N,N'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis[1-(2-thienyl)methanimine] [ACD/IUPAC Name]
(E,E)-N,N'-{[(4S,5S)-2,2-Diméthyl-1,3-dioxolane-4,5-diyl]diméthylène}bis[1-(2-thiényl)méthanimine] [French] [ACD/IUPAC Name]
1,3-Dioxolane-4,5-dimethanamine, 2,2-dimethyl-N4,N5-bis[(1E)-2-thienylmethylene]-, (4S,5S)- [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: 487.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 248.9±24.6 °C
Index of Refraction: 1.628
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 589.74
ACD/KOC (pH 5.5): 3261.81
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 645.94
ACD/KOC (pH 7.4): 3572.67
Polar Surface Area: 100 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 275.8±7.0 cm3

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