ChemSpider 2D Image | 5-(2-Ethoxyphenyl)-4-[(E)-(1-phenylethylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C18H18N4OS

5-(2-Ethoxyphenyl)-4-[(E)-(1-phenylethylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC18H18N4OS
  • Average mass338.427 Da
  • Monoisotopic mass338.120117 Da
  • ChemSpider ID30653931

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,4-Triazole-3-thione, 5-(2-ethoxyphenyl)-2,4-dihydro-4-[[(1E)-1-phenylethylidene]amino]- [ACD/Index Name]
5-(2-Ethoxyphenyl)-4-[(E)-(1-phenylethyliden)amino]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-(2-Ethoxyphenyl)-4-[(E)-(1-phenylethylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(2-Éthoxyphényl)-4-[(E)-(1-phényléthylidène)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC 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: 466.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±29.3 °C
Index of Refraction: 1.641
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 334.83
ACD/KOC (pH 5.5): 2232.14
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 305.54
ACD/KOC (pH 7.4): 2036.89
Polar Surface Area: 81 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 275.2±7.0 cm3

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