≥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 | C1=CC(=CC=C1C2=CC(=C(N=C2)SC3=CC=C(C=C3)F)C#N)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile |
| InChIKey | ZKLAOHLFRPXKBS-UHFFFAOYSA-N |
| INCHI | 1S/C18H10ClFN2S/c19-15-3-1-12(2-4-15)14-9-13(10-21)18(22-11-14)23-17-7-5-16(20)6-8-17/h1-9,11H |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC(=C(N=C2)SC3=CC=C(C=C3)F)C#N)Cl |
| PubChem CID | 1479159 |
| Molecular Weight | 340.81 |
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 | Diarylthioethers Thiophenol ethers 3-pyridinecarbonitriles Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Diarylthioether - Aryl thioether - Thiophenol ether - 3-pyridinecarbonitrile - Chlorobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Heteroaromatic compound - Sulfenyl compound - Azacycle - Thioether - Carbonitrile - Nitrile - Organopnictogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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 | 340.800 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 340.024 Da |
| Monoisotopic Mass | 340.024 Da |
| Topological Polar Surface Area | 62.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 424.000 |
| 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 |
![5-(4-Chlorophenyl)-2-[(4-fluorophenyl)sulfanyl]nicotinonitrile - ≥90% , CAS No.338955-19-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)