≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
| Pubchem Sid | 504762848 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762848 |
| Sonrisas canónicas | CC(=O)SCCC(=O)ON1C(=O)CCC1=O |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-acetylsulfanylpropanoate |
| InChIKey | ZRTJVRDXVSDKPX-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO5S/c1-6(11)16-5-4-9(14)15-10-7(12)2-3-8(10)13/h2-5H2,1H3 |
| Isómeros SMILES | CC(=O)SCCC(=O)ON1C(=O)CCC1=O |
| WGK Alemania | 3 |
| Peso molecular | 245.25 |
| Beilstein | 5562810 |
| Reaxy-Rn | 5562810 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5562810&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Dicarboximides Thioesters Lactams Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Dicarboximide - Lactam - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
| External Descriptors | Not available |
| Sensibilidad | Air Sensitive,Moisture Sensitive,Heat Sensitive |
|---|---|
| Punto de fusión (°C) | 66 °C |
| Peso molecular | 245.250 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 245.036 Da |
| Monoisotopic Mass | 245.036 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 325.000 |
| 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 |
B2316442