RefChem:1095733
(E)-but-2-enedioic acid;1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazine maleate|Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine|Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-, (Z)-2-butenedioate (1:1)
CAS: 34775-79-6
| Molecular Formula | C23H26N2O4S2 |
|---|---|
| Molecular Weight | 458.1334 g/mol |
| LogP | 3.7739 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.1334 |
| Monoisotopic Mass | 458.1334 |
| Heavy Atoms | 31 |
| Complexity | 942.3427 |
Chemical Identifiers
| CAS Number | 34775-79-6 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095733 (CAS 34775-79-6), with molecular formula C23H26N2O4S2 and molecular weight 458.1334 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
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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