HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 101755686Generated: October 31, 2026
2-[2-[4,5-Bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethyl-1,3-dioxidoimidazol-1-ium
https://huagongshe.com/en/chemical/101755686
Identifiers & Physical Properties
| Molecular formula | C53H89N2O2S6- |
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| Average molar mass | 978.7 g/mol |
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| Monoisotopic mass | 977.52483213 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCCCSC1=C(SCCCCCCCCCCCCCCCCCC)SC(=C2Sc3ccc(C4=[N+]([O-])C(C)(C)C(C)(C)N4[O-])cc3S2)S1 |
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| InChIKey | IBTUOSBQHJVZDO-UHFFFAOYSA-N |
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| PubChem CID | 101755686 |
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Chemical & Physical Properties
| XLogP | 22.3 |
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| Topological polar surface area | 207 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 37 |
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| Heavy atoms | 63 |
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| Formal charge | -1 |
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| Complexity | 1,270 |
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![2-[2-[4,5-Bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethyl-1,3-dioxidoimidazol-1-ium molecular structure](/img/chemical/101755686.png)