ChemSpider 2D Image | 5-(Heptylsulfanyl)-8-quinolinethiol | C16H21NS2

5-(Heptylsulfanyl)-8-quinolinethiol

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID57512640

More details:

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

5-(Heptylsulfanyl)-8-chinolinthiol [German] [ACD/IUPAC Name]
5-(Heptylsulfanyl)-8-quinoléinethiol [French] [ACD/IUPAC Name]
5-(Heptylsulfanyl)-8-quinolinethiol [ACD/IUPAC Name]
8-Quinolinethiol, 5-(heptylthio)- [ACD/Index Name]
5-(HEPTYLSULFANYL)QUINOLINE-8-THIOL
5-(Heptylthio)quinoline-8-thiol
60465-69-2 [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: 443.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 221.8±24.6 °C
Index of Refraction: 1.614
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 617.54
ACD/KOC (pH 5.5): 937.33
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 394.21
ACD/KOC (pH 7.4): 598.34
Polar Surface Area: 77 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 259.5±5.0 cm3

Click to predict properties on the Chemicalize site


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