ChemSpider 2D Image | 5-[(Methylsulfonyl)methyl]-2-(2-thienyl)-1,3-oxazole-4-carboxylic acid | C10H9NO5S2

5-[(Methylsulfonyl)methyl]-2-(2-thienyl)-1,3-oxazole-4-carboxylic acid

  • Molecular FormulaC10H9NO5S2
  • Average mass287.312 Da
  • Monoisotopic mass286.992218 Da
  • ChemSpider ID44644440

More details:

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

4-Oxazolecarboxylic acid, 5-[(methylsulfonyl)methyl]-2-(2-thienyl)- [ACD/Index Name]
5-[(Methylsulfonyl)methyl]-2-(2-thienyl)-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(Methylsulfonyl)methyl]-2-(2-thienyl)-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(méthylsulfonyl)méthyl]-2-(2-thiényl)-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 606.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.4±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 186.6±3.0 cm3

Click to predict properties on the Chemicalize site


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