HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57796608Generated: October 27, 2026
N,N-dihexyl-2,3-dimethyl-1,3-benzothiazol-3-ium-6-sulfonamide
https://huagongshe.com/en/chemical/57796608
Identifiers & Physical Properties
| Molecular formula | C21H35N2O2S2+ |
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| Average molar mass | 411.6 g/mol |
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| Monoisotopic mass | 411.21399571 g/mol |
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| SMILES | CCCCCCN(CCCCCC)S(=O)(=O)c1ccc2c(c1)sc(C)[n+]2C |
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| InChIKey | RXXWBUQWMKYJEI-UHFFFAOYSA-N |
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| PubChem CID | 57796608 |
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Chemical & Physical Properties
| XLogP | 6.7 |
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| Topological polar surface area | 77.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 27 |
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| Formal charge | 1 |
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| Complexity | 509 |
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