≥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 | CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)C |
|---|---|
| IUPAC Name | 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| InChIKey | RXRBJXAEYTVFEL-UHFFFAOYSA-N |
| INCHI | 1S/C20H15F3N4OS/c1-12-8-13(2)27(26-12)18(28)11-29-19-15(10-24)16(20(21,22)23)9-17(25-19)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3 |
| Isomeric SMILES | CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)C |
| PubChem CID | 1357046 |
| Molecular Weight | 416.42 |
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 | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | 3-pyridinecarbonitriles Alkylarylthioethers Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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 | 416.400 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 416.092 Da |
| Monoisotopic Mass | 416.092 Da |
| Topological Polar Surface Area | 96.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 631.000 |
| 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-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile - ≥90% , CAS No.311810-05-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)