ChemSpider 2D Image | 5-(3-Hydroxypropyl)-4-{(E)-[(2Z)-3-phenyl-2-propen-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione | C14H16N4OS

5-(3-Hydroxypropyl)-4-{(E)-[(2Z)-3-phenyl-2-propen-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC14H16N4OS
  • Average mass288.368 Da
  • Monoisotopic mass288.104492 Da
  • ChemSpider ID30655090

  • 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, 2,4-dihydro-5-(3-hydroxypropyl)-4-[[(1E,2Z)-3-phenyl-2-propen-1-ylidene]amino]- [ACD/Index Name]
5-(3-Hydroxypropyl)-4-{(E)-[(2Z)-3-phenyl-2-propen-1-yliden]amino}-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-(3-Hydroxypropyl)-4-{(E)-[(2Z)-3-phenyl-2-propen-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(3-Hydroxypropyl)-4-{(E)-[(2Z)-3-phényl-2-propén-1-ylidène]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: 452.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.5±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 83.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.45
ACD/KOC (pH 5.5): 246.94
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.11
ACD/KOC (pH 7.4): 241.52
Polar Surface Area: 92 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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