HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12374301Generated: November 4, 2026
1,2-Dihydro-3-methyl-4-phenylpyrido[2,1-b]benzothiazolium bromide
https://huagongshe.com/en/chemical/12374301
Identifiers & Physical Properties
| Molecular formula | C18H16BrNS |
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| Average molar mass | 358.3 g/mol |
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| Monoisotopic mass | 357.01868 g/mol |
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| SMILES | CC1=C(c2ccccc2)c2sc3ccccc3[n+]2CC1.[Br-] |
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| InChIKey | VBNUEXVIMODPSF-UHFFFAOYSA-M |
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| PubChem CID | 12374301 |
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Chemical & Physical Properties
| Topological polar surface area | 32.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 396 |
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![1,2-Dihydro-3-methyl-4-phenylpyrido[2,1-b]benzothiazolium bromide molecular structure](/img/chemical/12374301.png)