ChemSpider 2D Image | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE | C18H22ClNO2S

6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE

  • Molecular FormulaC18H22ClNO2S
  • Average mass351.891 Da
  • Monoisotopic mass351.105988 Da
  • ChemSpider ID25059202

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 6-chloro-4-[(S)-cyclohexylsulfinyl]-3-propyl- [ACD/Index Name]
6-Chlor-4-[(S)-cyclohexylsulfinyl]-3-propyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE
6-Chloro-4-[(S)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Chloro-4-[(S)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone [ACD/IUPAC Name]
6-chloro-4-[(S)-cyclohexanesulfinyl]-3-propyl-1,2-dihydroquinolin-2-one
6-chloro-4-[(S)-cyclohexanesulfinyl]-3-propyl-1H-quinolin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 829.52
ACD/KOC (pH 5.5): 4274.45
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.48
ACD/KOC (pH 7.4): 4233.07
Polar Surface Area: 65 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 268.1±5.0 cm3

Click to predict properties on the Chemicalize site


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