≥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=C(C=C1)C2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5.[Br-] |
|---|---|
| IUPAC Name | 2-(3,5-diphenyltetrazol-2-ium-2-yl)-1,3-benzothiazole;bromide |
| InChIKey | BSDDIVAXZYQIKN-UHFFFAOYSA-M |
| INCHI | 1S/C20H14N5S.BrH/c1-3-9-15(10-4-1)19-22-24(16-11-5-2-6-12-16)25(23-19)20-21-17-13-7-8-14-18(17)26-20;/h1-14H;1H/q+1;/p-1 |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5.[Br-] |
| Molecular Weight | 436.33 |
| Reaxy-Rn | 4117800 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117800&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 | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyltetrazoles and derivatives |
| Alternative Parents | Benzothiazoles Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyltetrazole - 1,3-benzothiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Sensitivity | Light Sensitive |
|---|---|
| Molecular Weight | 436.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 435.015 Da |
| Monoisotopic Mass | 435.015 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| 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 |
H2429367