2-[2-(3-Methoxyphenyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21224-56-6]

Identification

• Name: 2-[2-(3-Methoxyphenyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 1-Methoxy-3-[1-[(2-Sulfosulfanylethylamino)Methyl]Propyl]Benzene; 1-Methoxy-3-[1-[[2-(Sulfothio)Ethylamino]Methyl]Propyl]Benzene; 2-((2-(M-Methoxyphenyl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₃H₂₁NO₄S₂
• Molecular Weight: 319.43
• CAS Registry Number: 21224-56-6
• SMILES: C1=C(C=CC=C1C(CNCCS[S](=O)(=O)O)CC)OC
• InChI: 1S/C13H21NO4S2/c1-3-11(10-14-7-8-19-20(15,16)17)12-5-4-6-13(9-12)18-2/h4-6,9,11,14H,3,7-8,10H2,1-2H3,(H,15,16,17)
• InChIKey: JFCVRBKMOVNHBU-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)