≥95% 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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCC(C1)SC2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | tert-butyl (3R)-3-(4-fluorophenyl)sulfanylpyrrolidine-1-carboxylate |
| InChIKey | AUGONQZUUQXPDK-CYBMUJFWSA-N |
| INCHI | 1S/C15H20FNO2S/c1-15(2,3)19-14(18)17-9-8-13(10-17)20-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3/t13-/m1/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CC[C@H](C1)SC2=CC=C(C=C2)F |
| PubChem CID | 66569990 |
| Peso molecular | 297.39 |
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 | Organoheterocyclic compounds |
| Clase | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Carbamate esters Tertiary amines Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Sulfenyl compound - Azacycle - Thioether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 297.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 297.12 Da |
| Monoisotopic Mass | 297.12 Da |
| Topological Polar Surface Area | 54.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
