ChemSpider 2D Image | 1-[(4R,5R)-5-Methyl-1,3-dithiolan-4-yl]ethanone | C6H10OS2

1-[(4R,5R)-5-Methyl-1,3-dithiolan-4-yl]ethanone

  • Molecular FormulaC6H10OS2
  • Average mass162.273 Da
  • Monoisotopic mass162.017303 Da
  • ChemSpider ID29777992

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4R,5R)-5-Methyl-1,3-dithiolan-4-yl]ethanon [German] [ACD/IUPAC Name]
1-[(4R,5R)-5-Methyl-1,3-dithiolan-4-yl]ethanone [ACD/IUPAC Name]
1-[(4R,5R)-5-Méthyl-1,3-dithiolan-4-yl]éthanone [French] [ACD/IUPAC Name]
1-((4R,5R)-5-methyl-1,3-dithiolan-4-yl)ethanone
213821-12-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 260.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 111.3±16.0 °C
Index of Refraction: 1.547
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.70
ACD/KOC (pH 5.5): 120.93
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 120.93
Polar Surface Area: 68 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site


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