2-[4-(2-Phenanthryl)Butyl]Aminoethanethiol Sulfate
[CAS# 21224-65-7]

Identification

• Name: 2-[4-(2-Phenanthryl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 2-[4-[2-(Sulfothio)Ethylamino]Butyl]Phenanthrene; 2-((4-(2-Phenanthryl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Brn 3003503
• Molecular Formula: C₂₀H₂₃NO₃S₂
• Molecular Weight: 389.53
• CAS Registry Number: 21224-65-7
• SMILES: C1=C3C(=CC=C1CCCCNCCS[S](=O)(=O)O)C2=CC=CC=C2C=C3
• InChI: 1S/C20H23NO3S2/c22-26(23,24)25-14-13-21-12-4-3-5-16-8-11-20-18(15-16)10-9-17-6-1-2-7-19(17)20/h1-2,6-11,15,21H,3-5,12-14H2,(H,22,23,24)
• InChIKey: SYQJOPGQTWXTOJ-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)