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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 | C1CC2(CCNC1)SCCS2.Cl |
|---|---|
| IUPAC Name | 1,4-dithia-9-azaspiro[4.6]undecane;hydrochloride |
| InChIKey | INUFMGOPPCKPMJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H15NS2.ClH/c1-2-8(3-5-9-4-1)10-6-7-11-8;/h9H,1-7H2;1H |
| Isomeric SMILES | C1CC2(CCNC1)SCCS2.Cl |
| PubChem CID | 45158672 |
| Molecular Weight | 225.8 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Dithioketals Azepanes 1,3-dithiolanes Dialkylthioethers Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - Azepane - Dithioketal - Thioacetal - Dithiolane - 1,3-dithiolane - Secondary aliphatic amine - Azacycle - Dialkylthioether - Secondary amine - Thioether - Amine - Hydrochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 225.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 225.041 Da |
| Monoisotopic Mass | 225.041 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 | 2 |