ChemSpider 2D Image | COTI-2 | C19H22N6S

COTI-2

  • Molecular FormulaC19H22N6S
  • Average mass366.483 Da
  • Monoisotopic mass366.162659 Da
  • ChemSpider ID52084108

  • Double-bond stereo - Double-bond stereo

More details:

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

1039455-84-9 [RN]
1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[(8E)-6,7-dihydro-8(5H)-quinolinylidene]hydrazide [ACD/Index Name]
2BTA1O65BR
4-(pyridin-2-yl)-N-{[(8E)-5,6,7,8-tetrahydroquinolin-8-ylidene]amino}piperazine-1-carbothioamide
COTI-2
N'-[(8E)-6,7-Dihydro-8(5H)-chinolinyliden]-4-(2-pyridinyl)-1-piperazincarbothiohydrazid [German] [ACD/IUPAC Name]
N'-[(8E)-6,7-Dihydro-8(5H)-quinoléinylidène]-4-(2-pyridinyl)-1-pipérazinecarbothiohydrazide [French] [ACD/IUPAC Name]
N'-[(8E)-6,7-Dihydro-8(5H)-quinolinylidene]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide [ACD/IUPAC Name]
(E)-N'-(6,7-dihydroquinolin-8(5H)-ylidene)-4-(pyridin-2-yl)piperazine-1-carbothiohydrazide
MFCD28502211
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 574.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.0±3.0 kJ/mol
    Flash Point: 301.0±32.9 °C
    Index of Refraction: 1.715
    Molar Refractivity: 107.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.47
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.56
    ACD/KOC (pH 7.4): 20.95
    Polar Surface Area: 89 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 273.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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