ChemSpider 2D Image | 1-[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetone | C14H15NOS

1-[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetone

  • Molecular FormulaC14H15NOS
  • Average mass245.340 Da
  • Monoisotopic mass245.087433 Da
  • ChemSpider ID21624310

More details:






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

1-[(4,8-Dimethyl-2-chinolinyl)sulfanyl]aceton [German] [ACD/IUPAC Name]
1-[(4,8-Diméthyl-2-quinoléinyl)sulfanyl]acétone [French] [ACD/IUPAC Name]
1-[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetone [ACD/IUPAC Name]
1-[(4,8-Dimethylquinolin-2-yl)sulfanyl]acetone
2-Propanone, 1-[(4,8-dimethyl-2-quinolinyl)thio]- [ACD/Index Name]
1-(4,8-dimethyl-2-quinolylthio)acetone
1-(4,8-dimethylquinolin-2-yl)sulfanylpropan-2-one
1-[(4,8-dimethyl-2-quinolinyl)thio]acetone
919687-76-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.5±27.9 °C
Index of Refraction: 1.619
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.95
ACD/KOC (pH 5.5): 1182.54
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.41
ACD/KOC (pH 7.4): 1186.43
Polar Surface Area: 55 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 209.2±5.0 cm3

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