≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=C(C(=C1)C(F)(F)F)NC2=C(C(=O)NS2)C#N |
|---|---|
| IUPAC Name | 3-oxo-5-[2-(trifluoromethyl)anilino]-1,2-thiazole-4-carbonitrile |
| InChIKey | RVAGAHLIJPXBEV-UHFFFAOYSA-N |
| INCHI | 1S/C11H6F3N3OS/c12-11(13,14)7-3-1-2-4-8(7)16-10-6(5-15)9(18)17-19-10/h1-4,16H,(H,17,18) |
| Molecular Weight | 285.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Aniline and substituted anilines Aminothiazoles Vinylogous amides Heteroaromatic compounds Lactams Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Aniline or substituted anilines - 1,2-thiazolamine - Azole - Thiazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 285.250 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 285.018 Da |
| Monoisotopic Mass | 285.018 Da |
| Topological Polar Surface Area | 90.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| 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-Hydroxy-5-[2-(trifluoromethyl)anilino]isothiazole-4-carbonitrile - ≥99% CAS No(287196-91-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1307419.jpg)