Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504756728 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756728 |
| Canonical Smiles | C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.Cl |
| IUPAC Name | 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride |
| InChIKey | ZWUKMNZJRDGCTQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H |
| Isomeric SMILES | C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.Cl |
| WGK Germany | 3 |
| RTECS | DK9910000 |
| PubChem CID | 114869 |
| Molecular Weight | 290.17 |
| Reaxy-Rn | 6022764 |
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 | Organoheterocyclic compounds |
| Class | Benzothiadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiadiazoles |
| Alternative Parents | Benzenoids Aryl chlorides Thiadiazoles Imidazolines Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,1,3-benzothiadiazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - 2-imidazoline - Thiadiazole - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen 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 |
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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 | Aug 20, 2024 | T101308 | |
| Certificate of Analysis | Aug 20, 2024 | T101308 | |
| Certificate of Analysis | Jan 30, 2024 | T101308 | |
| Certificate of Analysis | Jan 30, 2024 | T101308 |
| Solubility | Solvent:water, Max Conc. mg/mL: 29.02, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 29.02, Max Conc. mM: 100 |
|---|---|
| Melt Point(°C) | 280°C |
| Molecular Weight | 290.170 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 288.996 Da |
| Monoisotopic Mass | 288.996 Da |
| Topological Polar Surface Area | 90.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |