ChemSpider 2D Image | 1-(4,5-Dimethyl-1-oxido-3,6-dihydro-2H-thiopyran-2-yl)ethanone | C9H14O2S

1-(4,5-Dimethyl-1-oxido-3,6-dihydro-2H-thiopyran-2-yl)ethanone

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID28571549

More details:

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

1-(4,5-Dimethyl-1-oxido-3,6-dihydro-2H-thiopyran-2-yl)ethanon [German] [ACD/IUPAC Name]
1-(4,5-Dimethyl-1-oxido-3,6-dihydro-2H-thiopyran-2-yl)ethanone [ACD/IUPAC Name]
1-(4,5-Diméthyl-1-oxydo-3,6-dihydro-2H-thiopyrane-2-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3,6-dihydro-4,5-dimethyl-1-oxido-2H-thiopyran-2-yl)- [ACD/Index Name]
197178-38-4 [RN]
2-Acetyl-4,5-dimethyl-3,6-dihydro-1λ4-thiopyran-1(2H)-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.2±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 50.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.68
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.68
Polar Surface Area: 53 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 160.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement