2-[5-(1-Isoquinolyloxy)Pentyl]Aminoethanethiol Sulfate
[CAS# 41287-45-0]

Identification

• Name: 2-[5-(1-Isoquinolyloxy)Pentyl]Aminoethanethiol Sulfate
• Synonyms: 1-[5-[2-(Sulfothio)Ethylamino]Pentoxy]Isoquinoline; Brn 1660166; Ethanethiol, 2-(5-(1-Isoquinolyloxy)Pentyl)Amino-, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₆H₂₂N₂O₄S₂
• Molecular Weight: 370.48
• CAS Registry Number: 41287-45-0
• SMILES: C1=NC(=C2C(=C1)C=CC=C2)OCCCCCNCCS[S](=O)(=O)O
• InChI: 1S/C16H22N2O4S2/c19-24(20,21)23-13-11-17-9-4-1-5-12-22-16-15-7-3-2-6-14(15)8-10-18-16/h2-3,6-8,10,17H,1,4-5,9,11-13H2,(H,19,20,21)
• InChIKey: HCCCKSXKQMGUDF-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)