ChemSpider 2D Image | 4-{(E)-[(3-Phenyl-1H-pyrazol-4-yl)methylene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione | C12H10N6S

4-{(E)-[(3-Phenyl-1H-pyrazol-4-yl)methylene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC12H10N6S
  • Average mass270.313 Da
  • Monoisotopic mass270.068756 Da
  • ChemSpider ID30656833

  • 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-4-[[(1E)-(3-phenyl-1H-pyrazol-4-yl)methylene]amino]- [ACD/Index Name]
4-{(E)-[(3-Phenyl-1H-pyrazol-4-yl)methylen]amino}-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-{(E)-[(3-Phenyl-1H-pyrazol-4-yl)methylene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-{(E)-[(3-Phényl-1H-pyrazol-4-yl)méthylène]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: 1.5±0.1 g/cm3
Boiling Point: 505.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±30.7 °C
Index of Refraction: 1.778
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.98
ACD/KOC (pH 5.5): 286.07
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.14
ACD/KOC (pH 7.4): 258.38
Polar Surface Area: 101 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 183.3±7.0 cm3

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