ChemSpider 2D Image | 4-[(E)-{[1-Allyl-2-(3-buten-1-yl)-4-sulfanyl-1H-imidazol-5-yl]methylene}amino]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C19H20N6S2

4-[(E)-{[1-Allyl-2-(3-buten-1-yl)-4-sulfanyl-1H-imidazol-5-yl]methylene}amino]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC19H20N6S2
  • Average mass396.532 Da
  • Monoisotopic mass396.119080 Da
  • ChemSpider ID30657140

  • 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, 4-[[(1E)-[2-(3-buten-1-yl)-4-mercapto-1-(2-propen-1-yl)-1H-imidazol-5-yl]methylene]amino]-2,4-dihydro-5-phenyl- [ACD/Index Name]
4-[(E)-{[1-Allyl-2-(3-buten-1-yl)-4-sulfanyl-1H-imidazol-5-yl]methylen}amino]-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-[(E)-{[1-Allyl-2-(3-buten-1-yl)-4-sulfanyl-1H-imidazol-5-yl]methylene}amino]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(E)-{[1-Allyl-2-(3-butén-1-yl)-4-sulfanyl-1H-imidazol-5-yl]méthylène}amino]-5-phényl-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: 1.3±0.1 g/cm3
Boiling Point: 565.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 25.66
ACD/KOC (pH 5.5): 155.52
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 13.23
Polar Surface Area: 129 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 308.9±7.0 cm3

Click to predict properties on the Chemicalize site


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