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≥95% 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 | CC(C)(C)OC(=O)N1CCC(CC1)CSSCC2CCN(CC2)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl 4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyldisulfanyl]methyl]piperidine-1-carboxylate |
| InChIKey | WSIQTNLAPOTUKC-UHFFFAOYSA-N |
| INCHI | 1S/C22H40N2O4S2/c1-21(2,3)27-19(25)23-11-7-17(8-12-23)15-29-30-16-18-9-13-24(14-10-18)20(26)28-22(4,5)6/h17-18H,7-16H2,1-6H3 |
| Molecular Weight | 460.7 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Carbamate esters Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Carbamic acid ester - Dialkyldisulfide - Organic disulfide - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 460.700 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 460.243 Da |
| Monoisotopic Mass | 460.243 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| 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 |