ChemSpider 2D Image | Cyanodothiepin | C20H20N2S

Cyanodothiepin

  • Molecular FormulaC20H20N2S
  • Average mass320.451 Da
  • Monoisotopic mass320.134705 Da
  • ChemSpider ID30780728

  • Double-bond stereo - Double-bond stereo

More details:

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

(11E)-11-[3-(Dimethylamino)propyliden]-6,11-dihydrodibenzo[b,e]thiepin-2-carbonitril [German] [ACD/IUPAC Name]
(11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]thiepine-2-carbonitrile [ACD/IUPAC Name]
(11E)-11-[3-(Diméthylamino)propylidène]-6,11-dihydrodibenzo[b,e]thiépine-2-carbonitrile [French] [ACD/IUPAC Name]
Cyanodothiepin [Wiki]
Dibenzo[b,e]thiepin-2-carbonitrile, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (11E)- [ACD/Index Name]
(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carbonitrile
11-[3-(dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]thiepine-2-carbonitrile
115475-38-2 [RN]
90667-37-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 483.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 246.0±28.7 °C
    Index of Refraction: 1.651
    Molar Refractivity: 98.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 6.19
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 25.74
    ACD/KOC (pH 7.4): 115.94
    Polar Surface Area: 52 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 56.5±5.0 dyne/cm
    Molar Volume: 268.2±5.0 cm3

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