Ethanethiol, 2-(acetoacetylamino)-

Base Information

• Chemical Name: Ethanethiol, 2-(acetoacetylamino)-
• CAS No.: 63950-93-6
• Molecular Formula: C₆H₁₁NO₂S
• Molecular Weight: 161.225
• DSSTox Substance ID: DTXSID90981293
• Nikkaji Number: J77.462F
• Wikidata: Q82967541
• Mol file: 63950-93-6.mol

Synonyms:63950-93-6;Ethanethiol, 2-(acetoacetylamino)-;BRN 1761243;N-Aceto acetyl cysteamin [German];N-Aceto acetyl cysteamin;acetoacetyl-cysteamine;4-04-00-01614 (Beilstein Handbook Reference);DTXSID90981293;3-Oxo-N-(2-sulfanylethyl)butanimidic acid

Chemical Property of Ethanethiol, 2-(acetoacetylamino)-

Chemical Property:

• Vapor Pressure: 3.86E-05mmHg at 25°C
• Boiling Point: 352.4°C at 760 mmHg
• Flash Point: 166.9°C
• PSA: 84.97000
• Density: 1.114g/cm³
• LogP: 0.40240
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 161.05104977
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

2-(ACETOACETYLAMINO)ETHANETHIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NCCS

Technology Process of Ethanethiol, 2-(acetoacetylamino)-

There total 2 articles about Ethanethiol, 2-(acetoacetylamino)- 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:

ethyleneimine (151-56-4,9002-98-6) + 4-methyleneoxetan-2-one (674-82-8,2130-41-8) → N-(2-mercapto-ethyl)-acetoacetamide (63950-93-6)

Guidance literature:

With hydrogen sulfide; benzene;

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + Cysteamine (60-23-1) → N-(2-mercapto-ethyl)-acetoacetamide (63950-93-6)

Guidance literature:

upstream raw materials:

ethyleneimine

4-methyleneoxetan-2-one

Cysteamine