| CAS Number | 320386-54-7 |
| Catalog Number | AG00C92B(AGN-PC-04Q02Q) |
| Chemical Name | 3-Mercaptopicolinic Acid, Hydrochloride |
| IUPAC Name | 3-sulfanylpyridine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H5NO2S.ClH/c8-6(9)5-4(10)2-1-3-7-5;/h1-3,10H,(H,8,9);1H |
| InChI Key | DYGYEUUVNLEHJP-UHFFFAOYSA-N |
| MDL Number | MFCD28048280 |
| Molecular Formula | C6H6ClNO2S |
| Molecular Weight | 191.6353 |
| SMILES | Cl.SC=1C(=NC=CC1)C(=O)O |
| Synonyms | 3-Mercaptopicolinic Acid Hydrochloride,
320386-54-7,
3-Mercaptopicolinic Acid, Hydrochloride,
3-Mercapto-2-pyridinecarboxylic Acid Hydrochloride,
3-Mercaptopicolinic acid HCl,
DTXSID90641042,
MFCD01320417,
FT-0671101,
3-sulfanylpyridine-2-carboxylic acid;hydrochloride,
J-018609,
3-Sulfanylpyridine-2-carboxylic acid--hydrogen chloride (1/1),
14623-54-2,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.629g/mol |
| Monoisotopic Mass | 190.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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