Tiaprofenic Acid
Chemical Information
Tiaprofenic acid is an aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. It has a role as a non-steroidal anti-inflammatory drug and a drug allergen. It is a monocarboxylic acid, a member of thiophenes and an aromatic ketone.
| CAS Number | 33005-95-7 |
| PubChem CID | 5468 |
| IUPAC Name | 2-(5-benzoylthiophen-2-yl)propanoic acid |
| Molecular Formula | C14H12O3S |
| Molecular Weight | 260.31 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 82.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 323 |
| Property | Value |
|---|---|
| Molecular Weight | 260.31 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 260.05071541 |
| Monoisotopic Mass | 260.05071541 |
| Topological Polar Surface Area | 82.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 323 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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