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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.
| Pubchem Sid | 488201077 |
|---|---|
| Canonical Smiles | C1=CC2=C(C=C1F)SC3=NC(=CN23)C(=O)O.O |
| IUPAC Name | 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;hydrate |
| InChIKey | GELMDQDZZRDPOL-UHFFFAOYSA-N |
| INCHI | 1S/C10H5FN2O2S.H2O/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10;/h1-4H,(H,14,15);1H2 |
| Isomeric SMILES | C1=CC2=C(C=C1F)SC3=NC(=CN23)C(=O)O.O |
| PubChem CID | 44717192 |
| Molecular Weight | 236.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Carbonylimidazoles N-substituted imidazoles Benzenoids Aryl fluorides Vinylogous amides Thiazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Imidazole-4-carbonyl group - Aryl fluoride - Aryl halide - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 26, 2026 | F336015 | |
| Certificate of Analysis | Jan 26, 2026 | F336015 | |
| Certificate of Analysis | Jan 26, 2026 | F336015 | |
| Certificate of Analysis | Jan 26, 2026 | F336015 | |
| Certificate of Analysis | Dec 15, 2022 | F336015 |
| Molecular Weight | 254.240 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 254.016 Da |
| Monoisotopic Mass | 254.016 Da |
| Topological Polar Surface Area | 83.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| 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 | 2 |