≥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.
| Canonical Smiles | C1=CC=C2C(=C1)N3C(=NC(=N3)C(=O)O)NS2(=O)=O |
|---|---|
| IUPAC Name | 5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxylic acid |
| InChIKey | ZADYVBZJUGUEEO-UHFFFAOYSA-N |
| INCHI | 1S/C9H6N4O4S/c14-8(15)7-10-9-12-18(16,17)6-4-2-1-3-5(6)13(9)11-7/h1-4H,(H,14,15)(H,10,11,12) |
| Molecular Weight | 266.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiadiazines |
| Subclass | Benzothiadiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
| Alternative Parents | Alpha amino acids and derivatives Imidolactams Benzenoids Triazolines Organosulfonic acids and derivatives Amidrazones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2,4-benzothiadiazine-1,1-dioxide - Alpha-amino acid or derivatives - Benzenoid - Imidolactam - Triazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid amidrazone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 266.240 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 266.011 Da |
| Monoisotopic Mass | 266.011 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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 |
