ChemSpider 2D Image | 5-(Hexylsulfanyl)-8-(methylsulfanyl)quinoline | C16H21NS2

5-(Hexylsulfanyl)-8-(methylsulfanyl)quinoline

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID57512650

More details:

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

5-(Hexylsulfanyl)-8-(methylsulfanyl)chinolin [German] [ACD/IUPAC Name]
5-(Hexylsulfanyl)-8-(méthylsulfanyl)quinoléine [French] [ACD/IUPAC Name]
5-(Hexylsulfanyl)-8-(methylsulfanyl)quinoline [ACD/IUPAC Name]
Quinoline, 5-(hexylthio)-8-(methylthio)- [ACD/Index Name]
60465-82-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 440.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 220.4±24.6 °C
Index of Refraction: 1.616
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21927.12
ACD/KOC (pH 5.5): 44521.72
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21977.75
ACD/KOC (pH 7.4): 44624.55
Polar Surface Area: 63 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 259.2±5.0 cm3

Click to predict properties on the Chemicalize site


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