≥95% 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 | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl |
|---|---|
| IUPAC Name | 3-(2-aminoethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione;hydrochloride |
| InChIKey | QYQLQFGTVGIPED-UHFFFAOYSA-N |
| INCHI | 1S/C14H18N2O3S.ClH/c1-2-19-11-5-3-10(4-6-11)16-13(17)9-12(14(16)18)20-8-7-15;/h3-6,12H,2,7-9,15H2,1H3;1H |
| Isomeric SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl |
| PubChem CID | 2756426 |
| Molecular Weight | 330.83 |
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 | Phenol ethers Phenoxy compounds Alkyl aryl ethers N-substituted carboxylic acid imides Pyrrolidine-2-ones Dicarboximides Pyrroles Lactams Amino acids and derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Lactam - Thioether - Sulfenyl compound - Dialkylthioether - Ether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic salt - Hydrochloride - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - 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 | 330.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 330.08 Da |
| Monoisotopic Mass | 330.08 Da |
| Topological Polar Surface Area | 97.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 356.000 |
| 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 | 2 |
