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Search term: MBUNKCCCGUUIJC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(Methylsulfanyl)cyclooctanone | C9H16OS

2-(Methylsulfanyl)cyclooctanone

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID35767743

More details:






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

2-(Methylsulfanyl)cyclooctanon [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)cyclooctanone [ACD/IUPAC Name]
2-(Méthylsulfanyl)cyclooctanone [French] [ACD/IUPAC Name]
Cyclooctanone, 2-(methylthio)- [ACD/Index Name]
2-(Methylsulfanyl)cyclooctan-1-one
52190-37-1 [RN]
MFCD24688834

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

Density: 1.0±0.1 g/cm3
Boiling Point: 279.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 132.8±11.1 °C
Index of Refraction: 1.495
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.08
ACD/KOC (pH 5.5): 706.47
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.08
ACD/KOC (pH 7.4): 706.47
Polar Surface Area: 42 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 35.5±5.0 dyne/cm
Molar Volume: 170.6±5.0 cm3

Click to predict properties on the Chemicalize site






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