ChemSpider 2D Image | 2-{3-[(3-Chlorophenyl)sulfanyl]-4-methyl-1-pentyn-1-yl}-6-methylpyridine | C18H18ClNS

2-{3-[(3-Chlorophenyl)sulfanyl]-4-methyl-1-pentyn-1-yl}-6-methylpyridine

  • Molecular FormulaC18H18ClNS
  • Average mass315.860 Da
  • Monoisotopic mass315.084839 Da
  • ChemSpider ID23275377

More details:






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

2-{3-[(3-Chlorophenyl)sulfanyl]-4-methyl-1-pentyn-1-yl}-6-methylpyridine [ACD/IUPAC Name]
2-{3-[(3-Chlorophényl)sulfanyl]-4-méthyl-1-pentyn-1-yl}-6-méthylpyridine [French] [ACD/IUPAC Name]
2-{3-[(3-chlorophenyl)sulfanyl]-4-methylpent-1-yn-1-yl}-6-methylpyridine
2-{3-[(3-Chlorphenyl)sulfanyl]-4-methyl-1-pentin-1-yl}-6-methylpyridin [German] [ACD/IUPAC Name]
pyridine, 2-[3-[(3-chlorophenyl)thio]-4-methyl-1-pentyn-1-yl]-6-methyl- [ACD/Index Name]
2-(3-(3-chlorophenylthio)-4-methylpent-1-ynyl)-6-methylpyridine
CHEMBL214236

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 435.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 217.0±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6236.11
ACD/KOC (pH 5.5): 18104.45
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6246.37
ACD/KOC (pH 7.4): 18134.23
Polar Surface Area: 38 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 266.8±5.0 cm3

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