≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CN1C(=NN=C1SCC(=O)O)C2=CN=CC=C2 |
|---|---|
| IUPAC Name | 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid |
| InChIKey | RGXPXKGFVWWNQN-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N4O2S/c1-14-9(7-3-2-4-11-5-7)12-13-10(14)17-6-8(15)16/h2-5H,6H2,1H3,(H,15,16) |
| Molecular Weight | 250.28 |
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 | Pyridyltriazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridyl-1,2,4-triazoles |
| Alternative Parents | Alkylarylthioethers Triazoles Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridyl-1,2,4-triazole - Aryl thioether - Alkylarylthioether - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring. |
| External Descriptors | Not available |
| Molecular Weight | 250.280 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.052 Da |
| Monoisotopic Mass | 250.052 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
![(4-Methyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid - ≥98% , CAS No.333418-58-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)