HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18463576Generated: October 26, 2026
1-(3-Cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanone
https://huagongshe.com/en/chemical/18463576
Identifiers & Physical Properties
| Molecular formula | C16H13NO2S |
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| Average molar mass | 283.3 g/mol |
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| SMILES | CSc1ccc(C(O)C(=O)c2cccc(C#N)c2)cc1 |
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| InChIKey | KOXKOWBGEVANGA-UHFFFAOYSA-N |
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| PubChem CID | 18463576 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 86.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 381 |
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![1-(3-Cyanophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-ethanone molecular structure](/img/chemical/18463576.png)