ChemSpider 2D Image | 3-[(4-Chlorophenoxy)methyl]-4-(3-phenylpropyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-ide | C18H17ClN3OS

3-[(4-Chlorophenoxy)methyl]-4-(3-phenylpropyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-ide

  • Molecular FormulaC18H17ClN3OS
  • Average mass358.866 Da
  • Monoisotopic mass358.078644 Da
  • ChemSpider ID34894992

  • Charge - Charge

More details:

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

3-[(4-Chlorophenoxy)methyl]-4-(3-phenylpropyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-ide [ACD/IUPAC Name]
3-[(4-Chlorophénoxy)méthyl]-4-(3-phénylpropyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-ide [French] [ACD/IUPAC Name]
3-[(4-Chlorphenoxy)methyl]-4-(3-phenylpropyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-id [German] [ACD/IUPAC Name]
3H-1,2,4-Triazole-3-thione, 5-[(4-chlorophenoxy)methyl]-2,4-dihydro-4-(3-phenylpropyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 489.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 301.50
ACD/KOC (pH 5.5): 2070.09
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 254.54
ACD/KOC (pH 7.4): 1747.68
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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