Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% 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.
λmax 765 nm
| Pubchem Sid | 488195605 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195605 |
| Canonical Smiles | CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| IUPAC Name | (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;iodide |
| InChIKey | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
| INCHI | 1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1 |
| Isomeric SMILES | CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| WGK Germany | 3 |
| RTECS | DL7045000 |
| PubChem CID | 5702699 |
| Molecular Weight | 544.52 |
| Beilstein | 3843385 |
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 | Aryl thioethers Benzenoids Thiazoles Heteroaromatic compounds Ketene acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Ketene acetal or derivatives - Azacycle - Organic iodide salt - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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 |
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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 | Mar 07, 2025 | D131480 | |
| Certificate of Analysis | Mar 06, 2025 | D131480 | |
| Certificate of Analysis | Dec 20, 2024 | D131480 | |
| Certificate of Analysis | Dec 20, 2024 | D131480 | |
| Certificate of Analysis | Dec 20, 2024 | D131480 | |
| Certificate of Analysis | Dec 13, 2024 | D131480 | |
| Certificate of Analysis | Dec 13, 2024 | D131480 | |
| Certificate of Analysis | Dec 13, 2024 | D131480 | |
| Certificate of Analysis | Jun 08, 2023 | D131480 |
| Sensitivity | light sensitive |
|---|---|
| Melt Point(°C) | 211°C |
| Molecular Weight | 544.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 544.05 Da |
| Monoisotopic Mass | 544.05 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 601.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 4 |
| Covalently-Bonded Unit Count | 2 |