ChemSpider 2D Image | Methyl 3-{[4-(methylsulfonyl)phenyl]sulfanyl}propanoate | C11H14O4S2

Methyl 3-{[4-(methylsulfonyl)phenyl]sulfanyl}propanoate

  • Molecular FormulaC11H14O4S2
  • Average mass274.357 Da
  • Monoisotopic mass274.033356 Da
  • ChemSpider ID34456192

More details:

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

3-{[4-(Méthylsulfonyl)phényl]sulfanyl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[4-(methylsulfonyl)phenyl]sulfanyl}propanoate [ACD/IUPAC Name]
Methyl-3-{[4-(methylsulfonyl)phenyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[4-(methylsulfonyl)phenyl]thio]-, methyl ester [ACD/Index Name]
methyl 3-[(4-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: 445.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.1±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.34
ACD/KOC (pH 5.5): 197.95
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.34
ACD/KOC (pH 7.4): 197.95
Polar Surface Area: 94 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 208.9±5.0 cm3

Click to predict properties on the Chemicalize site


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