RefChem:1056647
(E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile
Also Known As: 8-Chloro-10-(4-(2-cyanoethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate|1-Piperazinepropanenitrile, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)|4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanenitrile maleate|(E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile
CAS: 34801-41-7
| Molecular Formula | C25H26ClN3O4S |
|---|---|
| Molecular Weight | 499.13327 g/mol |
| LogP | 4.33148 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.13327 |
| Monoisotopic Mass | 499.13327 |
| Heavy Atoms | 34 |
| Complexity | 1077.8086 |
Chemical Identifiers
| CAS Number | 34801-41-7 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056647 (CAS 34801-41-7), with molecular formula C25H26ClN3O4S and molecular weight 499.13327 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile.
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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