ChemSpider 2D Image | 4-[(E)-({3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-N,N-diethylaniline | C25H32ClN5OS

4-[(E)-({3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-N,N-diethylaniline

  • Molecular FormulaC25H32ClN5OS
  • Average mass486.073 Da
  • Monoisotopic mass485.201599 Da
  • ChemSpider ID126628203

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-({3-[3-(4-Chlor-3,5-dimethylphenoxy)propyl]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-N,N-diethylanilin [German] [ACD/IUPAC Name]
4-[(E)-({3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-N,N-diethylaniline [ACD/IUPAC Name]
4-[(E)-({3-[3-(4-Chloro-3,5-diméthylphénoxy)propyl]-5-(méthylsulfanyl)-4H-1,2,4-triazol-4-yl}imino)méthyl]-N,N-diéthylaniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(1E)-[4-(diethylamino)phenyl]methylene]-5-(methylthio)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 78654.11
ACD/KOC (pH 5.5): 110706.65
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79771.78
ACD/KOC (pH 7.4): 112279.78
Polar Surface Area: 81 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 410.8±7.0 cm3

Click to predict properties on the Chemicalize site


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