2-[4-[4-(1,2-Benzothiazol-3-Yl)Piperazin-1-Yl]Butyl]-3H-Isoindol-1-One
[CAS# 155288-46-3]

Identification

• Name: 2-[4-[4-(1,2-Benzothiazol-3-Yl)Piperazin-1-Yl]Butyl]-3H-Isoindol-1-One
• Synonyms: 2-[4-[4-(1,2-Benzothiazol-3-Yl)Piperazin-1-Yl]Butyl]Isoindolin-1-One; 2-[4-[4-(1,2-Benzothiazol-3-Yl)-1-Piperazinyl]Butyl]-1-Isoindolinone; Bpbii
• Molecular Formula: C₂₃H₂₆N₄OS
• Molecular Weight: 406.54
• CAS Registry Number: 155288-46-3
• SMILES: C1=CC=CC2=C1C(=NS2)N3CCN(CC3)CCCCN4C(=O)C5=C(C4)C=CC=C5
• InChI: 1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2
• InChIKey: ZPAUMFOJNAADJN-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 561.982°C at 760 mmHg (Cal.)
• Flash point: 293.676°C (Cal.)