≥95% 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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=NC=NN3 |
|---|---|
| IUPAC Name | 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid |
| InChIKey | PALBENMSWBWCBQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H9N3O3S/c16-11(17)10-8(5-19-12-13-6-14-15-12)7-3-1-2-4-9(7)18-10/h1-4,6H,5H2,(H,16,17)(H,13,14,15) |
| Peso molecular | 275.290 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Furoic acids Alkylarylthioethers Benzenoids Triazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Furoic acid or derivatives - Aryl thioether - Furoic acid - Alkylarylthioether - Benzenoid - Azole - Furan - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Peso molecular | 275.290 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 275.036 Da |
| Monoisotopic Mass | 275.036 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 |
![3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid - ≥95% , CAS No.565210-75-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)