≥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(CN(C1=O)C2=CC=CC=C2)C(=O)NCCN3C(=O)CSC3=O |
|---|---|
| IUPAC Name | N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide |
| InChIKey | JPTHNJVRGSFFPB-UHFFFAOYSA-N |
| INCHI | 1S/C16H17N3O4S/c20-13-8-11(9-19(13)12-4-2-1-3-5-12)15(22)17-6-7-18-14(21)10-24-16(18)23/h1-5,11H,6-10H2,(H,17,22) |
| Isomeric SMILES | C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NCCN3C(=O)CSC3=O |
| PubChem CID | 571916 |
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 |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Pyrrolidinecarboxamides Thiazolidinediones Pyrrolidine-2-ones Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Organic carbonic acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Thiazolidinedione - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Dicarboximide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Thiocarbamic acid derivative - Lactam - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 347.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.094 Da |
| Monoisotopic Mass | 347.094 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
![N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide - ≥97% , CAS No.351066-25-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)