ChemSpider 2D Image | 5-Methyl-4-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)-2-(2-thienyl)-1,3-oxazole | C12H15NO5S3

5-Methyl-4-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)-2-(2-thienyl)-1,3-oxazole

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID70715695

More details:

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

5-Methyl-4-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)-2-(2-thienyl)-1,3-oxazol [German] [ACD/IUPAC Name]
5-Methyl-4-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)-2-(2-thienyl)-1,3-oxazole [ACD/IUPAC Name]
5-Méthyl-4-({[2-(méthylsulfonyl)éthyl]sulfonyl}méthyl)-2-(2-thiényl)-1,3-oxazole [French] [ACD/IUPAC Name]
Oxazole, 5-methyl-4-[[[2-(methylsulfonyl)ethyl]sulfonyl]methyl]-2-(2-thienyl)- [ACD/Index 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: 675.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 362.1±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 45.24
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 45.24
Polar Surface Area: 139 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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