ChemSpider 2D Image | 2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-one | C12H10OS2

2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

  • Molecular FormulaC12H10OS2
  • Average mass234.337 Da
  • Monoisotopic mass234.017303 Da
  • ChemSpider ID21391188

More details:

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

2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-on [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-one [ACD/IUPAC Name]
2-(Méthylsulfanyl)-6-phényl-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
4H-Thiopyran-4-one, 2-(methylthio)-6-phenyl- [ACD/Index Name]
113544-16-4 [RN]
2-(METHYLSULFANYL)-6-PHENYLTHIOPYRAN-4-ONE
2-(methylthio)-6-phenyl-4-thiopyranone
2-methylsulfanyl-6-phenylthiopyran-4-one
2-methylsulfanyl-6-phenyl-thiopyran-4-one
2-Methylthio-6-phenyl-4H-thiopyran-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 390.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 173.7±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: 4.23
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.91
ACD/KOC (pH 5.5): 1722.05
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.91
ACD/KOC (pH 7.4): 1722.05
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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