ChemSpider 2D Image | 4-(4-Ethylphenyl)-5-{[(4-fluorophenyl)amino]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione | C17H17FN4S

4-(4-Ethylphenyl)-5-{[(4-fluorophenyl)amino]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC17H17FN4S
  • Average mass328.407 Da
  • Monoisotopic mass328.115784 Da
  • ChemSpider ID17824897

More details:

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

3H-1,2,4-Triazole-3-thione, 4-(4-ethylphenyl)-5-[[(4-fluorophenyl)amino]methyl]-2,4-dihydro- [ACD/Index Name]
4-(4-Ethylphenyl)-5-{[(4-fluorophenyl)amino]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-(4-Éthylphényl)-5-{[(4-fluorophényl)amino]méthyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-(4-Ethylphenyl)-5-{[(4-fluorphenyl)amino]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
917750-12-0 [RN]
4-(4-Ethylphenyl)-5-(((4-fluorophenyl)amino)methyl)-4H-1,2,4-triazole-3-thiol
4-(4-Ethyl-phenyl)-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazole-3-thiol
MFCD08898886

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 33.65
ACD/KOC (pH 5.5): 201.67
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 10.45
Polar Surface Area: 82 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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