ChemSpider 2D Image | Ethyl 2-{[2-(methylsulfonyl)phenyl]sulfanyl}propanoate | C12H16O4S2

Ethyl 2-{[2-(methylsulfonyl)phenyl]sulfanyl}propanoate

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID30228576

More details:

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

2-{[2-(Méthylsulfonyl)phényl]sulfanyl}propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[2-(methylsulfonyl)phenyl]sulfanyl}propanoate [ACD/IUPAC Name]
Ethyl-2-{[2-(methylsulfonyl)phenyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[2-(methylsulfonyl)phenyl]thio]-, ethyl ester [ACD/Index Name]
ETHYL 2-[(2-METHANESULFONYLPHENYL)SULFANYL]PROPANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.4±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.59
ACD/KOC (pH 5.5): 237.08
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.59
ACD/KOC (pH 7.4): 237.08
Polar Surface Area: 94 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 225.8±5.0 cm3

Click to predict properties on the Chemicalize site


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