Thiosulfuric Acid Hydrogen S-[2-[(2-Phenylbutyl)Amino]Ethyl] Ester
[CAS# 27976-19-8]

Identification

• Name: Thiosulfuric Acid Hydrogen S-[2-[(2-Phenylbutyl)Amino]Ethyl] Ester
• Synonyms: 1-[(2-Sulfosulfanylethylamino)Methyl]Propylbenzene; 1-[[2-(Sulfothio)Ethylamino]Methyl]Propylbenzene; 2-(2-Phenylbutyl)Aminoethanethiol Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₂H₁₉NO₃S₂
• Molecular Weight: 289.41
• CAS Registry Number: 27976-19-8
• SMILES: C1=C(C(CNCCS[S](=O)(=O)O)CC)C=CC=C1
• InChI: 1S/C12H19NO3S2/c1-2-11(12-6-4-3-5-7-12)10-13-8-9-17-18(14,15)16/h3-7,11,13H,2,8-10H2,1H3,(H,14,15,16)
• InChIKey: VLILKLKOJKTCAA-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)