ChemSpider 2D Image | 3,3'-(1,4-Phenylene)bis[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole] | C26H24N6O2S2

3,3'-(1,4-Phenylene)bis[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole]

  • Molecular FormulaC26H24N6O2S2
  • Average mass516.638 Da
  • Monoisotopic mass516.140198 Da
  • ChemSpider ID3401358

More details:

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

3,3'-(1,4-Phenylen)bis[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol] [German] [ACD/IUPAC Name]
3,3'-(1,4-Phenylene)bis[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole] [ACD/IUPAC Name]
3,3'-(1,4-Phénylène)bis[4-(4-méthoxyphényl)-5-(méthylsulfanyl)-4H-1,2,4-triazole] [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3,3'-(1,4-phenylene)bis[4-(4-methoxyphenyl)-5-(methylthio)- [ACD/Index Name]
4-(4-methoxyphenyl)-3-[4-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]-5-methylsulfanyl-1,2,4-triazole
4-(4-methoxyphenyl)-3-{4-[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-5-(methylsulfanyl)-4H-1,2,4-triazole
491874-98-7 [RN]
AC1N57MX
AGN-PC-0L6XBZ
MCULE-1622680456
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AP-533/40760059 [DBID]
ZINC08398849 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 756.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.2±3.0 kJ/mol
    Flash Point: 411.2±35.7 °C
    Index of Refraction: 1.687
    Molar Refractivity: 147.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.15
    ACD/LogD (pH 5.5): 5.37
    ACD/BCF (pH 5.5): 7050.34
    ACD/KOC (pH 5.5): 19775.93
    ACD/LogD (pH 7.4): 5.37
    ACD/BCF (pH 7.4): 7050.48
    ACD/KOC (pH 7.4): 19776.34
    Polar Surface Area: 130 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 51.9±7.0 dyne/cm
    Molar Volume: 387.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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