2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
[CAS# 95847-70-4]

Identification

• Name: 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Synonyms: 1,1-Dioxo-2-[4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl]-1,2-Benzothiazol-3-One; 1,1-Diketo-2-[4-(4-Pyrimidin-2-Ylpiperazin-1-Yl)Butyl]-1,2-Benzothiazol-3-One; Brn 5486134
• Molecular Formula: C₁₉H₂₃N₅O₃S
• Molecular Weight: 401.48
• CAS Registry Number: 95847-70-4
• SMILES: C1=CC=CC4=C1[S](N(CCCCN3CCN(C2=NC=CC=N2)CC3)C4=O)(=O)=O
• InChI: 1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
• InChIKey: TZJUVVIWVWFLCD-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 629.833°C at 760 mmHg (Cal.)
• Flash point: 334.711°C (Cal.)
• solubility: Soluble to 10 mM in DMSO