2-[4-(3-Methoxyphenyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21224-55-5]

Identification

• Name: 2-[4-(3-Methoxyphenyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 1-Methoxy-3-[4-[2-(Sulfothio)Ethylamino]Butyl]Benzene; 2-((4-(M-Methoxyphenyl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Ethanethiol, 2-(4-(M-Methoxyphenyl)Butyl)Amino-, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₃H₂₁NO₄S₂
• Molecular Weight: 319.43
• CAS Registry Number: 21224-55-5
• SMILES: C1=C(C=CC=C1CCCCNCCS[S](=O)(=O)O)OC
• InChI: 1S/C13H21NO4S2/c1-18-13-7-4-6-12(11-13)5-2-3-8-14-9-10-19-20(15,16)17/h4,6-7,11,14H,2-3,5,8-10H2,1H3,(H,15,16,17)
• InChIKey: AZQFTMQJWDIQNZ-UHFFFAOYSA-N

Properties

• Density: 1.26g/cm³ (Cal.)