ChemSpider 2D Image | 3-[(4-Chlorobenzyl)sulfanyl]-4-(3,4-dichlorophenyl)-5-(2-furyl)-4H-1,2,4-triazole | C19H12Cl3N3OS

3-[(4-Chlorobenzyl)sulfanyl]-4-(3,4-dichlorophenyl)-5-(2-furyl)-4H-1,2,4-triazole

  • Molecular FormulaC19H12Cl3N3OS
  • Average mass436.742 Da
  • Monoisotopic mass434.976654 Da
  • ChemSpider ID21578917

More details:

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

3-[(4-Chlorbenzyl)sulfanyl]-4-(3,4-dichlorphenyl)-5-(2-furyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(4-Chlorobenzyl)sulfanyl]-4-(3,4-dichlorophenyl)-5-(2-furyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(4-Chlorobenzyl)sulfanyl]-4-(3,4-dichlorophényl)-5-(2-furyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[(4-chlorophenyl)methyl]thio]-4-(3,4-dichlorophenyl)-5-(2-furanyl)- [ACD/Index 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: 609.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.5±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43562.32
ACD/KOC (pH 5.5): 72821.22
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43562.52
ACD/KOC (pH 7.4): 72821.54
Polar Surface Area: 69 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 293.4±7.0 cm3

Click to predict properties on the Chemicalize site


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