ChemSpider 2D Image | 6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-2-one | C12H10OS2

6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-2-one

  • Molecular FormulaC12H10OS2
  • Average mass234.337 Da
  • Monoisotopic mass234.017303 Da
  • ChemSpider ID57455787

More details:

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

2H-Thiopyran-2-one, 6-(methylthio)-5-phenyl- [ACD/Index Name]
6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-2-on [German] [ACD/IUPAC Name]
6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-2-one [ACD/IUPAC Name]
6-(Méthylsulfanyl)-5-phényl-2H-thiopyrane-2-one [French] [ACD/IUPAC Name]
6-(Methylthio)-5-phenyl-2H-thiopyran-2-one
61149-37-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 154.3±17.9 °C
Index of Refraction: 1.673
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.06
ACD/KOC (pH 5.5): 893.00
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.06
ACD/KOC (pH 7.4): 893.00
Polar Surface Area: 68 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 181.5±5.0 cm3

Click to predict properties on the Chemicalize site


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