≥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.
| Sonrisas canónicas | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)O |
|---|---|
| IUPAC Name | 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid |
| InChIKey | MRJJNXSJOOEQAA-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N3O4S2/c13-8(14)4-5-10-18(15,16)7-3-1-2-6-9(7)12-17-11-6/h1-3,10H,4-5H2,(H,13,14) |
| Isómeros SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)O |
| CAS alternativo | 405279-59-6 |
| PubChem CID | 704527 |
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 acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Benzothiadiazoles Organosulfonamides Benzenoids Thiadiazoles Heteroaromatic compounds Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - 2,1,3-benzothiadiazole - Organosulfonic acid amide - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Thiadiazole - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 287.300 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 287.003 Da |
| Monoisotopic Mass | 287.003 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| 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 |
![3-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-propionic acid - ≥95% , CAS No.405279-59-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)