ChemSpider 2D Image | 4-(Benzylsulfanyl)-6-methyl-2H-thiopyran-2-one | C13H12OS2

4-(Benzylsulfanyl)-6-methyl-2H-thiopyran-2-one

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID57473603

More details:






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

2H-Thiopyran-2-one, 6-methyl-4-[(phenylmethyl)thio]- [ACD/Index Name]
4-(Benzylsulfanyl)-6-methyl-2H-thiopyran-2-on [German] [ACD/IUPAC Name]
4-(Benzylsulfanyl)-6-methyl-2H-thiopyran-2-one [ACD/IUPAC Name]
4-(Benzylsulfanyl)-6-méthyl-2H-thiopyrane-2-one [French] [ACD/IUPAC Name]
4-(Benzylthio)-6-methyl-2H-thiopyran-2-one
88369-16-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 354.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 149.3±17.9 °C
Index of Refraction: 1.656
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.36
ACD/KOC (pH 5.5): 1161.53
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.36
ACD/KOC (pH 7.4): 1161.53
Polar Surface Area: 68 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 197.8±5.0 cm3

Click to predict properties on the Chemicalize site






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