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1420987-85-4

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1420987-85-4 Structure

1420987-85-4 Structure
IdentificationBack Directory
[Name]

Brexpiprazole Impurity 20
[CAS]

1420987-85-4
[Synonyms]

1-(2,3-Dihydro[2,4&rsquo
Brexpiprazole Impurity 20
-bibenzo[b]thiophen]-4-yl)-piperazine
Piperazine, 1-(2,3-dihydro[2,4'-bibenzo[b]thiophen]-4-yl)-
[Molecular Formula]

C20H20N2S2
[MOL File]

1420987-85-4.mol
[Molecular Weight]

352.51
Chemical PropertiesBack Directory
[Boiling point ]

560.0±50.0 °C(Predicted)
[density ]

1.286±0.06 g/cm3(Predicted)
[pka]

8.88±0.10(Predicted)
[InChI]

InChI=1S/C20H20N2S2/c1-3-14(15-7-12-23-18(15)5-1)20-13-16-17(4-2-6-19(16)24-20)22-10-8-21-9-11-22/h1-7,12,20-21H,8-11,13H2
[InChIKey]

QOLJDCZXEUUSKM-UHFFFAOYSA-N
[SMILES]

C12CC(C3C=CC=C4SC=CC=34)SC1=CC=CC=2N1CCNCC1
Hazard InformationBack Directory
[Uses]

1-(2,3-Dihydro[2,4''-bibenzo[b]thiophen]-4-yl)-piperazine is a useful synthetic intermediate.
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