RefChem:1095721
(Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: Piperazine, 1-(10,11-dihydro-5-oxodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate|Dibenzo(b,f)thiepin-5-oxide, 10,11-dihydro-10-(4-methylpiperazino)-, hydrogen maleate|Piperazine, 1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, S-oxide, maleate|(Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
CAS: 31775-15-2
| Molecular Formula | C23H26N2O5S |
|---|---|
| Molecular Weight | 442.15625 g/mol |
| LogP | 2.4097 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.15625 |
| Monoisotopic Mass | 442.15625 |
| Heavy Atoms | 31 |
| Complexity | 982.9663 |
Chemical Identifiers
| CAS Number | 31775-15-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1095721 (CAS 31775-15-2), with molecular formula C23H26N2O5S and molecular weight 442.15625 g/mol. IUPAC: (Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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