RefChem:1083309
bis((Z)-but-2-enedioic acid);11-[3-(4-methylpiperazin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile
Also Known As: Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:2)|DIBENZO(b,e)THIEPIN-11-CARBONITRILE, 6,11-DIHYDRO-11-(3-(4-METHYL-1-PIPERAZINYL)|(Z)-but-2-enedioic acid; 11-[3-(4-methylpiperazin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile
CAS: 87997-52-2
| Molecular Formula | C31H35N3O8S |
|---|---|
| Molecular Weight | 609.2145 g/mol |
| LogP | 3.55318 |
| Topological Polar Surface Area | 179.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 609.2145 |
| Monoisotopic Mass | 609.2145 |
| Heavy Atoms | 43 |
| Complexity | 1263.5829 |
Chemical Identifiers
| CAS Number | 87997-52-2 |
|---|---|
| SMILES | CN1CCN(CC1)CCCC2(C3=CC=CC=C3SCC4=CC=CC=C24)C#N.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083309 (CAS 87997-52-2), with molecular formula C31H35N3O8S and molecular weight 609.2145 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);11-[3-(4-methylpiperazin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile.
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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