1-(1-Oxido-4-thiomorpholinyl)-3-(1-piperazinyl)-Isoquinoline
[CAS# 58138-24-2]

Identification

• Name: 1-(1-Oxido-4-thiomorpholinyl)-3-(1-piperazinyl)-Isoquinoline
• Synonyms: 4-(3-Piperazin-1-Yl-1-Isoquinolyl)-1,4-Thiazinane 1-Oxide; 4-[3-(1-Piperazinyl)-1-Isoquinolyl]-1,4-Thiazinane 1-Oxide; 1-(1-Oxido-4-Thiomorpholino)-3-(1-Piperazinyl)Isoquinoline
• Molecular Formula: C₁₇H₂₂N₄OS
• Molecular Weight: 330.45
• CAS Registry Number: 58138-24-2
• SMILES: C1=C2C(=CC=C1)C=C(N=C2N3CC[S](CC3)=O)N4CCNCC4
• InChI: 1S/C17H22N4OS/c22-23-11-9-21(10-12-23)17-15-4-2-1-3-14(15)13-16(19-17)20-7-5-18-6-8-20/h1-4,13,18H,5-12H2
• InChIKey: DMQFFNUCAGFFGD-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 672.42°C at 760 mmHg (Cal.)
• Flash point: 360.467°C (Cal.)