ChemSpider 2D Image | (E)-N-{3-(4-Bromobenzyl)-5-[(2-methyl-2-propen-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(2-chlorophenyl)methanimine | C20H18BrClN4S

(E)-N-{3-(4-Bromobenzyl)-5-[(2-methyl-2-propen-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(2-chlorophenyl)methanimine

  • Molecular FormulaC20H18BrClN4S
  • Average mass461.806 Da
  • Monoisotopic mass460.012390 Da
  • ChemSpider ID126328467

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-{3-(4-Brombenzyl)-5-[(2-methyl-2-propen-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(2-chlorphenyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-{3-(4-Bromobenzyl)-5-[(2-methyl-2-propen-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(2-chlorophenyl)methanimine [ACD/IUPAC Name]
(E)-N-{3-(4-Bromobenzyl)-5-[(2-méthyl-2-propén-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(2-chlorophényl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[(4-bromophenyl)methyl]-N-[(1E)-(2-chlorophenyl)methylene]-5-[(2-methyl-2-propen-1-yl)thio]- [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: 608.9±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: 322.1±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43948.43
ACD/KOC (pH 5.5): 73277.43
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43959.34
ACD/KOC (pH 7.4): 73295.61
Polar Surface Area: 68 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

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