| CAS Number | 67127-64-4 |
| Catalog Number | AG019ESO(AGN-PC-0NBJ7O) |
| Chemical Name | 2-Hydroxy-3-(methylthio)benzoic acid |
| IUPAC Name | 2-hydroxy-3-methylsulfanylbenzoic acid |
| InChI | InChI=1S/C8H8O3S/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChI Key | TZRMFKCHBWZNIF-UHFFFAOYSA-N |
| MDL Number | MFCD16999038 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | CSc1cccc(C(O)=O)c1O |
| Synonyms | 2-HYDROXY-3-(METHYLTHIO)BENZOIC ACID,
67127-64-4,
3-(methylmercapto)salicylic acid,
SCHEMBL2960122,
TZRMFKCHBWZNIF-UHFFFAOYSA-N,
MFCD16999038,
MB25594,
2-hydroxy-3-methylsulfanyl-benzoic Acid,
CID10845191,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number