≥97% 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 | C1C(NC(S1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | (4S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid |
| InChIKey | IYXKNSQXIDNVDV-VEDVMXKPSA-N |
| INCHI | 1S/C11H10F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/t8-,9?/m1/s1 |
| Isomeric SMILES | C1[C@@H](NC(S1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O |
| PubChem CID | 44118472 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | D-alpha-amino acids Thiazolidines Amino acids Secondary amines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Trifluoromethylbenzene - D-alpha-amino acid - Thiazolidine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - 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 | 277.260 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.038 Da |
| Monoisotopic Mass | 277.038 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(4S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid - ≥97% , CAS No.1217522-21-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)