≥96%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CN=C1)C(=O)S |
|---|---|
| IUPAC Name | pyridine-3-carbothioic S-acid |
| InChIKey | OWDHSOUPMJJTFN-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NOS/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| Isomeric SMILES | C1=CC(=CN=C1)C(=O)S |
| PubChem CID | 571572 |
| Molecular Weight | 139.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids and derivatives |
| Alternative Parents | Heteroaromatic compounds Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Alkylthiols Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid or derivatives - Heteroaromatic compound - Carbodithioic acid - Carbothioic s-acid - Alkylthiol - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof. |
| External Descriptors | Not available |
| Melt Point(°C) | 147°C(lit.) |
|---|---|
| Molecular Weight | 139.180 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 139.009 Da |
| Monoisotopic Mass | 139.009 Da |
| Topological Polar Surface Area | 31.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
