ChemSpider 2D Image | Methyl 4-({[2-oxo-2-(2-thienyl)ethyl]sulfinyl}methyl)benzoate | C15H14O4S2

Methyl 4-({[2-oxo-2-(2-thienyl)ethyl]sulfinyl}methyl)benzoate

  • Molecular FormulaC15H14O4S2
  • Average mass322.399 Da
  • Monoisotopic mass322.033356 Da
  • ChemSpider ID60208382

More details:

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

4-({[2-Oxo-2-(2-thiényl)éthyl]sulfinyl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-oxo-2-(2-thienyl)ethyl]sulfinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({[2-oxo-2-(2-thienyl)ethyl]sulfinyl}methyl)benzoate [ACD/IUPAC Name]
Methyl-4-({[2-oxo-2-(2-thienyl)ethyl]sulfinyl}methyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.45
ACD/KOC (pH 5.5): 768.48
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.45
ACD/KOC (pH 7.4): 768.48
Polar Surface Area: 108 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 235.0±3.0 cm3

Click to predict properties on the Chemicalize site


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