HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 1069676Generated: November 4, 2026
2-[(4-bromothiophen-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
https://huagongshe.com/en/chemical/1069676
Identifiers & Physical Properties
| CAS No. | 331855-51-7 |
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| Molecular formula | C16H18BrNO2S |
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| Average molar mass | 368.3 g/mol |
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| Monoisotopic mass | 367.02416 g/mol |
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| SMILES | COc1cc2c(cc1OC)CN(Cc1cc(Br)cs1)CC2 |
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| InChIKey | JBOJMORTUYSXSW-UHFFFAOYSA-N |
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| PubChem CID | 1069676 |
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| DTXSID | DTXSID801144863 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 49.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 346 |
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![2-[(4-bromothiophen-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline molecular structure](/img/chemical/1069676.png)