ChemSpider 2D Image | 3-{5-[(4-Bromobenzyl)sulfanyl]-4-(3-chlorophenyl)-1,2,4-triazolidin-3-yl}pyridine | C20H18BrClN4S

3-{5-[(4-Bromobenzyl)sulfanyl]-4-(3-chlorophenyl)-1,2,4-triazolidin-3-yl}pyridine

  • Molecular FormulaC20H18BrClN4S
  • Average mass461.806 Da
  • Monoisotopic mass460.012390 Da
  • ChemSpider ID110247658

More details:

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

3-{5-[(4-Brombenzyl)sulfanyl]-4-(3-chlorphenyl)-1,2,4-triazolidin-3-yl}pyridin [German] [ACD/IUPAC Name]
3-{5-[(4-Bromobenzyl)sulfanyl]-4-(3-chlorophenyl)-1,2,4-triazolidin-3-yl}pyridine [ACD/IUPAC Name]
3-{5-[(4-Bromobenzyl)sulfanyl]-4-(3-chlorophényl)-1,2,4-triazolidin-3-yl}pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[5-[[(4-bromophenyl)methyl]thio]-4-(3-chlorophenyl)-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: 1.6±0.1 g/cm3
Boiling Point: 620.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.8±31.5 °C
Index of Refraction: 1.733
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 750.38
ACD/KOC (pH 5.5): 3461.76
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1214.92
ACD/KOC (pH 7.4): 5604.88
Polar Surface Area: 65 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 293.5±5.0 cm3

Click to predict properties on the Chemicalize site


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