CTK3E9565
but-2-enedioic acid;4-[2-fluoro-8-(trifluoromethylsulfanyl)-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine
Also Known As: Piperidine, 4-(7-fluoro-2-((trifluoromethyl)thio)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate
CAS: 83975-67-1
| Molecular Formula | C24H23F4NO5S2 |
|---|---|
| Molecular Weight | 545.0954 g/mol |
| LogP | 6.0759 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.0954 |
| Monoisotopic Mass | 545.0954 |
| Heavy Atoms | 36 |
| Complexity | 1117.9753 |
Chemical Identifiers
| CAS Number | 83975-67-1 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)SC(F)(F)F)SC4=C(O2)C=CC(=C4)F.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9565 (CAS 83975-67-1), with molecular formula C24H23F4NO5S2 and molecular weight 545.0954 g/mol. IUPAC: but-2-enedioic acid;4-[2-fluoro-8-(trifluoromethylsulfanyl)-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine.
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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