HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 30516Generated: November 3, 2026
4H-Cycloheptathiazolium, 2-(p-(dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-, iodide
https://huagongshe.com/en/chemical/30516
Identifiers & Physical Properties
| CAS No. | 21176-88-5 |
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| Molecular formula | C17H23IN2S |
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| Average molar mass | 414.3 g/mol |
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| Monoisotopic mass | 414.06267 g/mol |
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| SMILES | CN(C)c1ccc(-c2sc3c([n+]2C)CCCCC3)cc1.[I-] |
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| InChIKey | UIZJMJHHYOOWAE-UHFFFAOYSA-M |
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| PubChem CID | 30516 |
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| DTXSID | DTXSID00943509 |
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Chemical & Physical Properties
| Topological polar surface area | 35.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 312 |
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