HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12377785Generated: November 3, 2026
1-[5-Anilino-3-(methylamino)-4-nitrothiophen-2-yl]ethan-1-one
https://huagongshe.com/en/chemical/12377785
Identifiers & Physical Properties
| CAS No. | 54252-42-5 |
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| Molecular formula | C13H13N3O3S |
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| Average molar mass | 291.33 g/mol |
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| Monoisotopic mass | 291.06776246 g/mol |
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| SMILES | CNc1c(C(C)=O)sc(Nc2ccccc2)c1[N+](=O)[O-] |
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| InChIKey | KTFWWSWOOWKAPE-UHFFFAOYSA-N |
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| PubChem CID | 12377785 |
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| DTXSID | DTXSID10495226 |
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Chemical & Physical Properties
| XLogP | 4.4 |
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| Topological polar surface area | 115 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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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 | 368 |
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![1-[5-Anilino-3-(methylamino)-4-nitrothiophen-2-yl]ethan-1-one molecular structure](/img/chemical/12377785.png)