≥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 | C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O |
|---|---|
| IUPAC Name | 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid |
| InChIKey | ZCYFHIOHNFQBFX-UHFFFAOYSA-N |
| INCHI | 1S/C11H11N3O4S2/c15-11(16)8-4-2-6-14(8)20(17,18)9-5-1-3-7-10(9)13-19-12-7/h1,3,5,8H,2,4,6H2,(H,15,16) |
| Isómeros SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O |
| PubChem CID | 2863131 |
| Peso molecular | 313.35 |
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 | Proline and derivatives |
| Alternative Parents | Benzothiadiazoles Pyrrolidine carboxylic acids Organosulfonamides Benzenoids Thiadiazoles Sulfonyls Heteroaromatic 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 | Proline or derivatives - 2,1,3-benzothiadiazole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzenoid - Organosulfonic acid amide - Azole - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiadiazole - Sulfonyl - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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 | 313.400 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 313.019 Da |
| Monoisotopic Mass | 313.019 Da |
| Topological Polar Surface Area | 137.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
