≥95% 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 | CCC(C)C(C(=O)O)N=C1C2=CC=CC=C2S(=O)(=O)N1 |
|---|---|
| IUPAC Name | 2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylpentanoic acid |
| InChIKey | LKZYYAIUVDNNSB-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O4S/c1-3-8(2)11(13(16)17)14-12-9-6-4-5-7-10(9)20(18,19)15-12/h4-8,11H,3H2,1-2H3,(H,14,15)(H,16,17) |
| Peso molecular | 296.340 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Isoleucine and derivatives |
| Alternative Parents | Benzothiazoles Imidolactams Benzenoids Organosulfonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoleucine or derivatives - 1,2-benzothiazole - Benzenoid - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 296.340 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 296.083 Da |
| Monoisotopic Mass | 296.083 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
