AC1O5OQL structure

AC1O5OQL

2-[4-[(3E)-3-(2-bromo-7-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride

Also Known As: N 769|Thioxanthene, 7-bromo-2-chloro-9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-, dihydrochloride|1-Piperazineethanol, 4-(3-(2-chloro-7-bromothioxanth-9-ylidene)propyl)-, dihydrochloride|1-Piperazineethanol, 4-[3-(2-bromo-7-chloro-9H-thioxanthen-9-ylidene)propyl]-, dihydrochloride|2-[4-[(3E)-3-(2-bromo-7-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride

CAS: 64047-93-4
Molecular Formula C22H26BrCl3N2OS
Molecular Weight 550.00146 g/mol
LogP 5.8424
Topological Polar Surface Area 26.71 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 550.00146
Monoisotopic Mass 550.00146
Heavy Atoms 30
Complexity 835.1815

Chemical Identifiers

CAS Number 64047-93-4
SMILES C1CN(CCN1CC/C=C/2\C3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)Br)CCO.Cl.Cl

Product Overview

AC1O5OQL (CAS 64047-93-4), with molecular formula C22H26BrCl3N2OS and molecular weight 550.00146 g/mol. IUPAC: 2-[4-[(3E)-3-(2-bromo-7-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride.

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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.
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