≥90% 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 | C1CCC2=CC(=C(N=C2CC1)SCC(=O)O)C#N |
|---|---|
| IUPAC Name | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetic acid |
| InChIKey | MUFJWHFGQCIKSO-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O2S/c14-7-10-6-9-4-2-1-3-5-11(9)15-13(10)18-8-12(16)17/h6H,1-5,8H2,(H,16,17) |
| Isómeros SMILES | C1CCC2=CC(=C(N=C2CC1)SCC(=O)O)C#N |
| PubChem CID | 845582 |
| Peso molecular | 262.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 262.330 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 262.078 Da |
| Monoisotopic Mass | 262.078 Da |
| Topological Polar Surface Area | 99.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetic acid - ≥90% , CAS No.293326-96-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)