≥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 | CSCC(C(=O)O)N1C(=O)C2CCCCC2C1=O |
|---|---|
| IUPAC Name | 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-methylsulfanylpropanoic acid |
| InChIKey | VUSVLCRDPBARIH-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO4S/c1-18-6-9(12(16)17)13-10(14)7-4-2-3-5-8(7)11(13)15/h7-9H,2-6H2,1H3,(H,16,17) |
| Molecular Weight | 271.330 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Cysteine and derivatives |
| Alternative Parents | Isoindolones Isoindoles Heterocyclic fatty acids Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Cysteine or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Heterocyclic fatty acid - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Fatty acid - Fatty acyl - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Lactam - Thioether - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 271.330 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 271.088 Da |
| Monoisotopic Mass | 271.088 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 360.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
