2-Mercaptobenzoic acid
Chemical Information
Thiosalicylic acid is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. It has a role as a non-narcotic analgesic and an antipyretic. It is a conjugate acid of a thiosalicylate(1-).
| CAS Number | 147-93-3 |
| PubChem CID | 5443 |
| IUPAC Name | 2-sulfanylbenzoic acid |
| Molecular Formula | C7H6O2S |
| Molecular Weight | 154.19 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 136 |
| Property | Value |
|---|---|
| Molecular Weight | 154.19 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.00885060 |
| Monoisotopic Mass | 154.00885060 |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 136 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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