AC1L53NT
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: AE-641/00613009|1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine|1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine|1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine|1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
CAS: 39889-98-0
| Molecular Formula | C24H30N2O2S2 |
|---|---|
| Molecular Weight | 442.17487 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.17487 |
| Monoisotopic Mass | 442.17487 |
| Heavy Atoms | 30 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 39889-98-0 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCC5OCCO5 |
| InChIKey | BJWPYCBMSGGWGZ-UHFFFAOYSA-N |
Product Overview
AC1L53NT (CAS 39889-98-0), with molecular formula C24H30N2O2S2 and molecular weight 442.17487 g/mol. IUPAC: 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(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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