ChemSpider 2D Image | 2-{[(2-Hydroxyethyl)sulfanyl]methyl}-1-(3-methylbenzyl)-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone | C23H22Cl3NO3S

2-{[(2-Hydroxyethyl)sulfanyl]methyl}-1-(3-methylbenzyl)-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone

  • Molecular FormulaC23H22Cl3NO3S
  • Average mass498.850 Da
  • Monoisotopic mass497.038605 Da
  • ChemSpider ID123425634

More details:

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

2-{[(2-Hydroxyethyl)sulfanyl]methyl}-1-(3-methylbenzyl)-5-[(2,3,6-trichlorbenzyl)oxy]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-{[(2-Hydroxyethyl)sulfanyl]methyl}-1-(3-methylbenzyl)-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[(2-Hydroxyéthyl)sulfanyl]méthyl}-1-(3-méthylbenzyl)-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(2-hydroxyethyl)thio]methyl]-1-[(3-methylphenyl)methyl]-5-[(2,3,6-trichlorophenyl)methoxy]- [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: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19896.80
ACD/KOC (pH 5.5): 41557.55
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19897.61
ACD/KOC (pH 7.4): 41559.24
Polar Surface Area: 75 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 349.9±5.0 cm3

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