HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6445813Generated: October 30, 2026
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:1)
https://huagongshe.com/en/chemical/6445813
Identifiers & Physical Properties
| CAS No. | 41931-95-7 |
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| Molecular formula | C22H23ClN2O5S |
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| Average molar mass | 462.9 g/mol |
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| Monoisotopic mass | 462.1016207 g/mol |
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| SMILES | O=C(O)/C=C/C(=O)O.O=S1c2ccccc2CC(N2CCNCC2)c2cc(Cl)ccc21 |
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| InChIKey | JCHBYPWBALLMAA-WLHGVMLRSA-N |
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| PubChem CID | 6445813 |
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Chemical & Physical Properties
| Topological polar surface area | 126 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 562 |
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