Found 1110 results

Search term: MF = 'C_{16}H_{14}FN_{3}O_{2}S'
ChemSpider 2D Image | 4-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C16H14FN3O2S

4-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC16H14FN3O2S
  • Average mass331.365 Da
  • Monoisotopic mass331.079071 Da
  • ChemSpider ID27420270

More details:

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

3H-1,2,4-Triazole-3-thione, 4-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-2,4-dihydro- [ACD/Index Name]
4-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-(2,5-Diméthoxyphényl)-5-(4-fluorophényl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-(2,5-Dimethoxyphenyl)-5-(4-fluorphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
1171733-20-2 [RN]
4-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
4H-1,2,4-triazole-3-thiol, 4-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)
MFCD02854333 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 527.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 272.8±32.9 °C
    Index of Refraction: 1.632
    Molar Refractivity: 88.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.03
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 22.53
    ACD/KOC (pH 5.5): 175.95
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.79
    Polar Surface Area: 88 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 247.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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