ChemSpider 2D Image | 3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one | C13H12OS2

3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID28674252

More details:






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

3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-on [German] [ACD/IUPAC Name]
3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one [ACD/IUPAC Name]
3-Méthyl-2-(méthylsulfanyl)-6-phényl-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
4H-Thiopyran-4-one, 3-methyl-2-(methylthio)-6-phenyl- [ACD/Index Name]
113544-19-7 [RN]
3-Methyl-2-(methylthio)-6-phenyl-4H-thiopyran-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 396.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 173.5±17.9 °C
Index of Refraction: 1.654
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 324.47
ACD/KOC (pH 5.5): 2183.24
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 324.47
ACD/KOC (pH 7.4): 2183.24
Polar Surface Area: 68 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 197.7±5.0 cm3

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