2-[4-(2,5-Xylyl)Butyl]Aminoethanethiol Sulfate
[CAS# 21224-59-9]

Identification

• Name: 2-[4-(2,5-Xylyl)Butyl]Aminoethanethiol Sulfate
• Synonyms: 1,4-Dimethyl-2-[4-[2-(Sulfothio)Ethylamino]Butyl]Benzene; 2-((4-(2,5-Xylyl)Butyl)Amino)Ethanethiol Hydrogen Sulfate (Ester); Ethanethiol, 2-(4-(2,5-Xylyl)Butyl)Amino-, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₄H₂₃NO₃S₂
• Molecular Weight: 317.46
• CAS Registry Number: 21224-59-9
• SMILES: C1=C(C(=CC(=C1)C)CCCCNCCS[S](=O)(=O)O)C
• InChI: 1S/C14H23NO3S2/c1-12-6-7-13(2)14(11-12)5-3-4-8-15-9-10-19-20(16,17)18/h6-7,11,15H,3-5,8-10H2,1-2H3,(H,16,17,18)
• InChIKey: PVKPYRBMWORZPU-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)