ChemSpider 2D Image | 3,5-Dichloro-2-(methylsulfanyl)-4H-pyran-4-one | C6H4Cl2O2S

3,5-Dichloro-2-(methylsulfanyl)-4H-pyran-4-one

  • Molecular FormulaC6H4Cl2O2S
  • Average mass211.066 Da
  • Monoisotopic mass209.930908 Da
  • ChemSpider ID62920907

More details:

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

3,5-Dichlor-2-(methylsulfanyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
3,5-Dichloro-2-(methylsulfanyl)-4H-pyran-4-one [ACD/IUPAC Name]
3,5-Dichloro-2-(méthylsulfanyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3,5-dichloro-2-(methylthio)- [ACD/Index Name]
76827-86-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 291.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.3±27.3 °C
Index of Refraction: 1.597
Molar Refractivity: 46.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 107.86
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 107.86
Polar Surface Area: 52 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 136.3±5.0 cm3

Click to predict properties on the Chemicalize site


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