ChemSpider 2D Image | 6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-3-carbaldehyde | C13H12OS2

6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-3-carbaldehyde

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID57455786

More details:






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

2H-Thiopyran-3-carboxaldehyde, 6-(methylthio)-5-phenyl- [ACD/Index Name]
6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-3-carbaldehyd [German] [ACD/IUPAC Name]
6-(Methylsulfanyl)-5-phenyl-2H-thiopyran-3-carbaldehyde [ACD/IUPAC Name]
6-(Méthylsulfanyl)-5-phényl-2H-thiopyrane-3-carbaldéhyde [French] [ACD/IUPAC Name]
54011-08-4 [RN]
6-(Methylthio)-5-phenyl-2H-thiopyran-3-carbaldehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 177.4±18.8 °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: 3.68
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.73
ACD/KOC (pH 5.5): 1882.22
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.73
ACD/KOC (pH 7.4): 1882.22
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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