≥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.
| Canonical Smiles | CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| InChIKey | MHNQMMPRWOGUCP-UHFFFAOYSA-N |
| INCHI | 1S/C27H27ClN2S/c1-27(2,3)20-13-14-24-21(15-20)25(18-9-5-4-6-10-18)22(16-29)26(30-24)31-17-19-11-7-8-12-23(19)28/h4-12,20H,13-15,17H2,1-3H3 |
| Molecular Weight | 447 |
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 |
| Class | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Phenylpyridines Hydroquinolines Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - 4-phenylpyridine - Tetrahydroquinoline - Aryl thioether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 447.000 g/mol |
|---|---|
| XLogP3 | 7.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.158 Da |
| Monoisotopic Mass | 446.158 Da |
| Topological Polar Surface Area | 62.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 631.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![6-Tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile - ≥90% , CAS No.309278-44-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)