HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006176Generated: November 2, 2026
1-{3,6-Dibromo-5-octadecanoylthieno[3,2-b]thiophen-2-yl}octadecan-1-one
https://huagongshe.com/en/chemical/67006176
Identifiers & Physical Properties
| Molecular formula | C42H70Br2O2S2 |
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| Average molar mass | 830.9 g/mol |
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| Monoisotopic mass | 828.3184 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCCC(=O)c1sc2c(Br)c(C(=O)CCCCCCCCCCCCCCCCC)sc2c1Br |
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| InChIKey | YIVYVVAAJAUESX-UHFFFAOYSA-N |
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| PubChem CID | 67006176 |
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Chemical & Physical Properties
| XLogP | 20.9 |
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| Topological polar surface area | 90.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 34 |
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| Heavy atoms | 48 |
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| Formal charge | 0 |
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| Complexity | 732 |
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![1-{3,6-Dibromo-5-octadecanoylthieno[3,2-b]thiophen-2-yl}octadecan-1-one molecular structure](/img/chemical/67006176.png)