ChemSpider 2D Image | 3-(4-Chlorophenyl)-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine | C17H15ClN4S

3-(4-Chlorophenyl)-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC17H15ClN4S
  • Average mass342.846 Da
  • Monoisotopic mass342.070587 Da
  • ChemSpider ID128012410

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Chlorophenyl)-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-(4-Chlorophényl)-5-{[(2Z)-3-phényl-2-propén-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-(4-chlorophenyl)-5-[[(2Z)-3-phenyl-2-propen-1-yl]thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.2±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 97.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1829.00
ACD/KOC (pH 5.5): 7528.06
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1829.09
ACD/KOC (pH 7.4): 7528.44
Polar Surface Area: 82 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 261.5±7.0 cm3

Click to predict properties on the Chemicalize site


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