Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester

Base Information

• Chemical Name: Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester
• CAS No.: 924-19-6
• Molecular Formula: C₁₀H₂₃NO₃S₂
• Molecular Weight: 269.43
• DSSTox Substance ID: DTXSID10919194
• Nikkaji Number: J49.780K
• Mol file: 924-19-6.mol

Synonyms:WR 2246;BRN 2366284;924-19-6;2-(3-Octyl)aminoethanethiol hydrogen sulfate (ester);Ethanethiol, 2-(3-octyl)amino-, hydrogen sulfate (ester);Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester;Ethanethiol, 2-((1-ethylhexyl)amino)-, hydrogen sulfate (ester);DTXSID10919194;LS-66054;S-{2-[(Octan-3-yl)amino]ethyl} hydrogen sulfurothioate;Thiosulfuric acid hydrogen S-[2-[(1-ethylhexyl)amino]ethyl] ester;Thiosulfuric acid (H2S2O3), S-[2-[(1-ethylhexyl)amino]ethyl] ester

Chemical Property of Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester

Chemical Property:

• Melting Point: 124 °C
• Boiling Point: °Cat760mmHg
• PKA: -4.40±0.30(Predicted)
• Flash Point: °C
• PSA: 100.08000
• Density: 1.144g/cm³
• LogP: 3.94260
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 269.11193594
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC)NCCSS(=O)(=O)O

Technology Process of Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester

There total 1 articles about Thiosulfuric acid, S-(2-((1-ethylhexyl)amino)ethyl) ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-bromooctane (999-64-4) + ethanolamine (141-43-5) → 2--ethanthioschwefelsaeure (924-19-6)

Guidance literature:

Multistep reaction; (i) xylene, (ii) aq. HBr, (iii) aq. Na₂S₂O₃, EtOH;

DOI:10.1021/jm00336a041

upstream raw materials:

3-bromooctane

ethanolamine