≥90% 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.
| Sonrisas canónicas | C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5 |
|---|---|
| IUPAC Name | 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide |
| InChIKey | FQLHKSDBAIXWFG-UHFFFAOYSA-N |
| INCHI | 1S/C25H24N4OS2/c26-13-18-5-6-21(25-10-15-7-16(11-25)9-17(8-15)12-25)28-23(18)31-14-22(30)29-24-27-19-3-1-2-4-20(19)32-24/h1-6,15-17H,7-12,14H2,(H,27,29,30) |
| Isómeros SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5 |
| PubChem CID | 4021729 |
| Peso molecular | 460.62 |
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 | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | N-arylamides 3-pyridinecarbonitriles Alkylarylthioethers Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Aryl thioether - 3-pyridinecarbonitrile - N-arylamide - Alkylarylthioether - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Cyanide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Peso molecular | 460.600 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 460.139 Da |
| Monoisotopic Mass | 460.139 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 740.000 |
| 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 |
![2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide - ≥90% , CAS No.313379-93-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)