ChemSpider 2D Image | 4-Ethyl-5-(2-furyl)-2-{[4-(mesitylsulfonyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione | C22H29N5O3S2

4-Ethyl-5-(2-furyl)-2-{[4-(mesitylsulfonyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC22H29N5O3S2
  • Average mass475.627 Da
  • Monoisotopic mass475.171173 Da
  • ChemSpider ID22460486

More details:

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

3H-1,2,4-Triazole-3-thione, 4-ethyl-5-(2-furanyl)-2,4-dihydro-2-[[4-[(2,4,6-trimethylphenyl)sulfonyl]-1-piperazinyl]methyl]- [ACD/Index Name]
4-Ethyl-5-(2-furyl)-2-{[4-(mesitylsulfonyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Ethyl-5-(2-furyl)-2-{[4-(mesitylsulfonyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Éthyl-5-(2-furyl)-2-{[4-(mésitylsulfonyl)-1-pipérazinyl]méthyl}-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: 1.4±0.1 g/cm3
Boiling Point: 586.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.5±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.44
ACD/KOC (pH 5.5): 952.63
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.91
ACD/KOC (pH 7.4): 966.27
Polar Surface Area: 113 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 352.3±7.0 cm3

Click to predict properties on the Chemicalize site


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