≥98% 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 | CCN(CC)S(=O)(=O)C1=CC=C(C2=NSN=C12)Br |
|---|---|
| IUPAC Name | 4-bromo-N,N-diethyl-2,1,3-benzothiadiazole-7-sulfonamide |
| InChIKey | JASXQPDCSVHDCG-UHFFFAOYSA-N |
| INCHI | 1S/C10H12BrN3O2S2/c1-3-14(4-2)18(15,16)8-6-5-7(11)9-10(8)13-17-12-9/h5-6H,3-4H2,1-2H3 |
| Molecular Weight | 350.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiadiazoles |
| Alternative Parents | Organosulfonamides Benzenoids Aryl bromides Thiadiazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,1,3-benzothiadiazole - Aryl bromide - Aryl halide - Benzenoid - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 350.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 348.955 Da |
| Monoisotopic Mass | 348.955 Da |
| Topological Polar Surface Area | 99.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| 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 |
