HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 242525Generated: November 3, 2026
[1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate
https://huagongshe.com/en/chemical/242525
Identifiers & Physical Properties
| CAS No. | 7511-39-9 |
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| Molecular formula | C22H28O6S2 |
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| Average molar mass | 452.6 g/mol |
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| Monoisotopic mass | 452.13273096 g/mol |
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| SMILES | CC(=O)OC(C(O)C(O)CO)C(O)C(SCc1ccccc1)SCc1ccccc1 |
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| InChIKey | WXNPKRCDFFIIGT-UHFFFAOYSA-N |
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| PubChem CID | 242525 |
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| DTXSID | DTXSID30287468 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 158 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 460 |
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![[1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate molecular structure](/img/chemical/242525.png)