ChemSpider 2D Image | (2Z)-2-(4-Phenyl-1,3-thiazol-2-yl)-3-(4-quinolinyl)acrylonitrile | C21H13N3S

(2Z)-2-(4-Phenyl-1,3-thiazol-2-yl)-3-(4-quinolinyl)acrylonitrile

  • Molecular FormulaC21H13N3S
  • Average mass339.413 Da
  • Monoisotopic mass339.083008 Da
  • ChemSpider ID22882736

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(4-Phényl-1,3-thiazol-2-yl)-3-(4-quinoléinyl)acrylonitrile [French] [ACD/IUPAC Name]
(2Z)-2-(4-Phenyl-1,3-thiazol-2-yl)-3-(4-quinolinyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(4-Chinolinyl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, 4-phenyl-α-(4-quinolinylmethylene)-, (αZ)- [ACD/Index Name]
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-4-ylprop-2-enenitrile
924818-80-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 581.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.9±3.0 kJ/mol
    Flash Point: 305.4±32.9 °C
    Index of Refraction: 1.726
    Molar Refractivity: 103.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 4.89
    ACD/BCF (pH 5.5): 3090.39
    ACD/KOC (pH 5.5): 10957.26
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 3091.49
    ACD/KOC (pH 7.4): 10961.16
    Polar Surface Area: 78 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 64.1±3.0 dyne/cm
    Molar Volume: 261.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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