ChemSpider 2D Image | 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)(~2~H_4_)ethanol | C23H21D4F3N2OS

2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)(2H4)ethanol

  • Molecular FormulaC23H21D4F3N2OS
  • Average mass438.542 Da
  • Monoisotopic mass438.189087 Da
  • ChemSpider ID48061489

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

1-Piperazineethan-α,α,β,β-d4-ol, 4-[(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]- [ACD/Index Name]
2-(4-{(3Z)-3-[2-(Trifluormethyl)-9H-thioxanthen-9-yliden]propyl}-1-piperazinyl)(2H4)ethanol [German] [ACD/IUPAC Name]
2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)(2H4)ethanol [ACD/IUPAC Name]
2-(4-{(3Z)-3-[2-(Trifluorométhyl)-9H-thioxanthén-9-ylidène]propyl}-1-pipérazinyl)(2H4)éthanol [French] [ACD/IUPAC Name]
1,1,2,2-tetradeuterio-2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
1246833-30-6 [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: 554.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±3.0 kJ/mol
    Flash Point: 289.3±30.1 °C
    Index of Refraction: 1.621
    Molar Refractivity: 116.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 33.20
    ACD/KOC (pH 5.5): 137.29
    ACD/LogD (pH 7.4): 4.36
    ACD/BCF (pH 7.4): 1061.23
    ACD/KOC (pH 7.4): 4387.90
    Polar Surface Area: 52 Å2
    Polarizability: 46.3±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 332.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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