≥95% 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 | CCCCSCSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N |
|---|---|
| IUPAC Name | 2-(butylsulfanylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile |
| InChIKey | PRCOLPJIDOCMBG-UHFFFAOYSA-N |
| INCHI | 1S/C21H20N2S3/c1-2-3-11-24-15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-12-25-20/h4-10,12-13H,2-3,11,15H2,1H3 |
| Molecular Weight | 396.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | 3-pyridinecarbonitriles Alkylarylthioethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Dithioacetals Sulfenyl compounds Nitriles Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thioacetal - Heteroaromatic compound - Thiophene - Carbonitrile - Nitrile - Thioether - Azacycle - Sulfenyl compound - Dialkylthioether - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 396.600 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 396.079 Da |
| Monoisotopic Mass | 396.079 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 |
![2-{[(Butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile - ≥95% , CAS No.371222-47-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)