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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CC2CSCC1N2.Cl |
|---|---|
| IUPAC Name | 3-thia-8-azabicyclo[3.2.1]octane;hydrochloride |
| InChIKey | MUYYLRBNXKOPFG-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NS.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H |
| Alternate CAS | 2173991-75-6 |
| PubChem CID | 132352621 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiepanes |
| Alternative Parents | Thiomorpholines Pyrrolidines Sulfenyl compounds Dialkylthioethers Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Thiepane - 1,4-thiazinane - Pyrrolidine - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom. |
| External Descriptors | Not available |
| Molecular Weight | 165.690 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 165.038 Da |
| Monoisotopic Mass | 165.038 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |