ChemSpider 2D Image | 3-[4-(2-Methylphenyl)-5-{[(1-phenyl-5-tetrazolidinyl)methyl]sulfanyl}-1,2,4-triazolidin-3-yl]pyridine | C22H26N8S

3-[4-(2-Methylphenyl)-5-{[(1-phenyl-5-tetrazolidinyl)methyl]sulfanyl}-1,2,4-triazolidin-3-yl]pyridine

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID110141615

More details:

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

3-[4-(2-Methylphenyl)-5-{[(1-phenyl-5-tetrazolidinyl)methyl]sulfanyl}-1,2,4-triazolidin-3-yl]pyridin [German] [ACD/IUPAC Name]
3-[4-(2-Methylphenyl)-5-{[(1-phenyl-5-tetrazolidinyl)methyl]sulfanyl}-1,2,4-triazolidin-3-yl]pyridine [ACD/IUPAC Name]
3-[4-(2-Méthylphényl)-5-{[(1-phényl-5-tétrazolidinyl)méthyl]sulfanyl}-1,2,4-triazolidin-3-yl]pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[4-(2-methylphenyl)-5-[[(1-phenyl-5-tetrazolidinyl)methyl]thio]-1,2,4-triazolidin-3-yl]- [ACD/Index 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: 621.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 36.98
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 220.03
Polar Surface Area: 105 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


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