RefChem:1095900
(E)-but-2-enedioic acid;1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(7,8-Dichlorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(7,8-dichlorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
CAS: 60811-05-4
| Molecular Formula | C23H22Cl2N2O4S |
|---|---|
| Molecular Weight | 492.06772 g/mol |
| LogP | 4.9153 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.06772 |
| Monoisotopic Mass | 492.06772 |
| Heavy Atoms | 32 |
| Complexity | 1063.6613 |
Chemical Identifiers
| CAS Number | 60811-05-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)Cl)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095900 (CAS 60811-05-4), with molecular formula C23H22Cl2N2O4S and molecular weight 492.06772 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(2,3-dichlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
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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