2-[4-(4-Nitrophenoxy)Butyl]Aminoethanethiol Sulfate
[CAS# 21208-82-2]

Identification

• Name: 2-[4-(4-Nitrophenoxy)Butyl]Aminoethanethiol Sulfate
• Synonyms: 1-Nitro-4-[4-[2-(Sulfothio)Ethylamino]Butoxy]Benzene; 2-((4-(P-Nitrophenoxy)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Brn 2168205
• Molecular Formula: C₁₂H₁₈N₂O₆S₂
• Molecular Weight: 350.40
• CAS Registry Number: 21208-82-2
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1)OCCCCNCCS[S](=O)(=O)O
• InChI: 1S/C12H18N2O6S2/c15-14(16)11-3-5-12(6-4-11)20-9-2-1-7-13-8-10-21-22(17,18)19/h3-6,13H,1-2,7-10H2,(H,17,18,19)
• InChIKey: ZCVXRVZBAKZWMU-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)