HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5282425Generated: November 3, 2026
cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride
https://huagongshe.com/en/chemical/5282425
Identifiers & Physical Properties
| CAS No. | 25627-39-8 |
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| Molecular formula | C19H22ClNS |
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| Average molar mass | 331.9 g/mol |
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| Monoisotopic mass | 331.1161486 g/mol |
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| SMILES | C[NH+](C)CC/C=C1/c2ccccc2CSc2ccccc21.[Cl-] |
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| InChIKey | XUPZAARQDNSRJB-CULRIWENSA-N |
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| PubChem CID | 5282425 |
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| ChEBI | CHEBI:31519 |
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Chemical & Physical Properties
| Topological polar surface area | 29.7 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 363 |
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