≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C=CC[N+]1=CSC2=CC=CC=C21.[Br-] |
|---|---|
| IUPAC Name | 3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide |
| InChIKey | MEYXQRPXVJWXBZ-UHFFFAOYSA-M |
| INCHI | 1S/C10H10NS.BrH/c1-2-7-11-8-12-10-6-4-3-5-9(10)11;/h2-6,8H,1,7H2;1H/q+1;/p-1 |
| Isomeric SMILES | C=CC[N+]1=CSC2=CC=CC=C21.[Br-] |
| Molecular Weight | 256.16 |
| Reaxy-Rn | 4038955 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4038955&ln= |
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 | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - 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 |
|---|---|---|---|
 G2430214 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| G2430215 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| G2430216 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| G2430217 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| G2430218 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| G2430219 | Certificate of Analysis | Apr 24, 2024 | N159501 |
| Molecular Weight | 256.160 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.972 Da |
| Monoisotopic Mass | 254.972 Da |
| Topological Polar Surface Area | 32.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
