Cas no 60166-86-1 (5-(Methylsulfonyl)thiophene-2-carboxylic acid)

5-(Methylsulfonyl)thiophene-2-carboxylic acid is a sulfur-containing heterocyclic compound featuring both a carboxylic acid and a methylsulfonyl functional group. This structure makes it a versatile intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The methylsulfonyl group enhances electrophilic reactivity, while the carboxylic acid allows for further derivatization, such as amide or ester formation. Its thiophene backbone contributes to stability and aromatic character, making it useful in designing bioactive molecules. The compound’s high purity and well-defined functional groups ensure reliable performance in cross-coupling reactions and other transformations. It is commonly employed in medicinal chemistry for the development of enzyme inhibitors and receptor modulators.
5-(Methylsulfonyl)thiophene-2-carboxylic acid structure
60166-86-1 structure
Product Name:5-(Methylsulfonyl)thiophene-2-carboxylic acid
CAS No:60166-86-1
MF:C6H6O4S2
MW:206.239439487457
MDL:MFCD00173745
CID:501676
PubChem ID:2740497
Update Time:2025-06-07

5-(Methylsulfonyl)thiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Methylsulfonyl)thiophene-2-carboxylic acid
    • 2-Thiophenecarboxylicacid, 5-(methylsulfonyl)-
    • 5-(METHYLSULPHONYL)THIOPHENE-2-CARBOXYLIC ACID
    • 5-methylsulfonylthiophene-2-carboxylic acid
    • 5-(Methanesulfonyl)-2-thiophenecarboxylic acid
    • C6H6O4S2
    • 5-(methylsulfonyl)thiophene-2-carboxylic acid, AldrichCPR
    • Z1202231869
    • DB-004895
    • SLWRTVINHWIGTK-UHFFFAOYSA-N
    • 5-methanesulfonyl-2-thiphenecarboxylic acid
    • 5-methanesulfonylthiophene-2-carboxylic acid
    • SCHEMBL322182
    • 5-Methanesulfonyl thiophene-2-carboxylic acid
    • PS-4633
    • 5-methanesulfonyl-thiophene-2-carboxylic acid
    • CCG-252888
    • 2-Thiophenecarboxylicacid,5-(methylsulfonyl)-
    • 5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLICACID
    • AKOS016003772
    • CS-0205963
    • EN300-78011
    • HMS563E19
    • MFCD00173745
    • DTXSID60372376
    • (5-methylsulfonyl)thiophene-2-carboxylic acid
    • 60166-86-1
    • Maybridge1_007675
    • MDL： MFCD00173745
    • Inchi： 1S/C6H6O4S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
    • InChI Key： SLWRTVINHWIGTK-UHFFFAOYSA-N
    • SMILES： S(C)(C1=CC=C(C(=O)O)S1)(=O)=O

Computed Properties

  • Exact Mass: 205.97100
  • Monoisotopic Mass: 205.971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 108A^2
  • XLogP3: 1

Experimental Properties

  • Density: 1.548±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 204 °C
  • Boiling Point: 485.6°C at 760 mmHg
  • Flash Point: 247.5°C
  • Refractive Index: 1.584
  • Solubility: Slightly soluble (2.5 g/l) (25 o C),
  • PSA: 108.06000
  • LogP: 1.93060

5-(Methylsulfonyl)thiophene-2-carboxylic acid Security Information

5-(Methylsulfonyl)thiophene-2-carboxylic acid Pricemore >>

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5-(Methylsulfonyl)thiophene-2-carboxylic acid Production Method

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