ChemSpider 2D Image | 5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate | C31H33N5O2S

5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate

  • Molecular FormulaC31H33N5O2S
  • Average mass539.691 Da
  • Monoisotopic mass539.235474 Da
  • ChemSpider ID4607766

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-N-(3-Méthylphényl)-2-oxopropanehydrazonothioate de 5-[(4-cyclohexylphénoxy)méthyl]-4-phényl-4H-1,2,4-triazol-3-yle [French] [ACD/IUPAC Name]
5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate [ACD/IUPAC Name]
5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl-(1E)-N-(3-methylphenyl)-2-oxopropanhydrazonothioat [German] [ACD/IUPAC Name]
Propanehydrazonothioic acid, N-(3-methylphenyl)-2-oxo-, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl ester, (1E)- [ACD/Index Name]
(1E)-1-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[2-(3-methylphenyl)hydrazin-1-ylidene]propan-2-one
[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(3-methylanilino)-2-oxopropanimidothioate
380879-81-2 [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: 730.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.7±3.0 kJ/mol
    Flash Point: 395.7±35.7 °C
    Index of Refraction: 1.650
    Molar Refractivity: 158.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 8.86
    ACD/LogD (pH 5.5): 7.60
    ACD/BCF (pH 5.5): 348808.69
    ACD/KOC (pH 5.5): 322684.84
    ACD/LogD (pH 7.4): 7.55
    ACD/BCF (pH 7.4): 313358.03
    ACD/KOC (pH 7.4): 289889.25
    Polar Surface Area: 107 Å2
    Polarizability: 62.8±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 434.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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