HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 89975543Generated: November 1, 2026
(3S,4S,5R)-2-bromo-3-fluoro-4-((4-methylbenzyl)oxy)-5-(((4-methylbenzyl)oxy)meth yl)thiolane
https://huagongshe.com/en/chemical/89975543
Identifiers & Physical Properties
| Molecular formula | C21H24BrFO2S |
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| Average molar mass | 439.4 g/mol |
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| Monoisotopic mass | 438.06644 g/mol |
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| SMILES | Cc1ccc(COC[C@H]2SC(Br)[C@@H](F)[C@@H]2OCc2ccc(C)cc2)cc1 |
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| InChIKey | KDSOHJFBFBOMGT-JQKXYWIWSA-N |
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| PubChem CID | 89975543 |
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Chemical & Physical Properties
| XLogP | 5.5 |
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| Topological polar surface area | 43.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 411 |
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