≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=C1N)SC2=C(N=CC(=C2)C(F)(F)F)C#N |
|---|---|
| IUPAC Name | 3-(4-aminophenyl)sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile |
| InChIKey | UWKUWUCYEQMWDX-UHFFFAOYSA-N |
| INCHI | 1S/C13H8F3N3S/c14-13(15,16)8-5-12(11(6-17)19-7-8)20-10-3-1-9(18)2-4-10/h1-5,7H,18H2 |
| Isomeric SMILES | C1=CC(=CC=C1N)SC2=C(N=CC(=C2)C(F)(F)F)C#N |
| PubChem CID | 1473758 |
| Molecular Weight | 295.29 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Aniline and substituted anilines Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Aniline or substituted anilines - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 295.280 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.039 Da |
| Monoisotopic Mass | 295.039 Da |
| Topological Polar Surface Area | 88.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
![3-[(4-Aminophenyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile - ≥90% , CAS No.338407-42-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)