HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 26913Generated: November 4, 2026
3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium iodide
https://huagongshe.com/en/chemical/26913
Identifiers & Physical Properties
| CAS No. | 14795-76-7 |
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| Molecular formula | C25H27IN2O2S2 |
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| Average molar mass | 578.5 g/mol |
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| Monoisotopic mass | 578.05587 g/mol |
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| SMILES | CCN1C(=CC=CC=Cc2sc3cc(OC)ccc3[n+]2CC)Sc2cc(OC)ccc21.[I-] |
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| InChIKey | WWUGXTIYSMORKR-UHFFFAOYSA-M |
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| PubChem CID | 26913 |
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| DTXSID | DTXSID10933259 |
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Chemical & Physical Properties
| Topological polar surface area | 79.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 628 |
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![3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium iodide molecular structure](/img/chemical/26913.png)