HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 40468416Generated: November 4, 2026
5-(4-Benzylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate
https://huagongshe.com/en/chemical/40468416
Identifiers & Physical Properties
| CAS No. | 852916-96-2 |
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| Molecular formula | C16H19N3O2S2 |
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| Average molar mass | 349.5 g/mol |
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| Monoisotopic mass | 349.0918692 g/mol |
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| SMILES | O=S(=O)(c1ccc([S-])nc1)N1CC[NH+](Cc2ccccc2)CC1 |
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| InChIKey | FQBIEZWSRLMUKG-UHFFFAOYSA-N |
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| PubChem CID | 40468416 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 64.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 466 |
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