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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.
| ALogP | 4.5 |
|---|
| Sonrisas canónicas | CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3 |
|---|---|
| IUPAC Name | 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine |
| InChIKey | CVASBKDYSQKLSO-UHFFFAOYSA-N |
| INCHI | 1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3 |
| PubChem CID | 9878913 |
| Peso molecular | 283.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Diarylthioethers Thiophenol ethers Toluenes Aralkylamines Sulfenyl compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Diarylthioether - Aryl thioether - Thiophenol ether - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 283.400 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 283.139 Da |
| Monoisotopic Mass | 283.139 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |