≥99% 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)(CCC(=O)ON1C(=O)CCC1=O)SSC2=NC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-[(5-nitropyridin-2-yl)disulfanyl]pentanoate |
| InChIKey | AQKHEWNNTCBJPY-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N3O6S2/c1-15(2,26-25-11-4-3-10(9-16-11)18(22)23)8-7-14(21)24-17-12(19)5-6-13(17)20/h3-4,9H,5-8H2,1-2H3 |
| Peso molecular | 399.400 |
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 | Organic 1,3-dipolar compounds |
| Clase | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Pyrrolidine-2-ones Pyridines and derivatives Dicarboximides Heteroaromatic compounds Lactams Organic disulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Pyridine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Lactam - Organic disulfide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Peso molecular | 399.400 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 399.056 Da |
| Monoisotopic Mass | 399.056 Da |
| Topological Polar Surface Area | 173.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 564.000 |
| 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 |
