3-[(Ethylcarbamothioyl)sulfanyl]propanoic acid

Base Information

• Chemical Name: 3-[(Ethylcarbamothioyl)sulfanyl]propanoic acid
• CAS No.: 7629-48-3
• Molecular Formula: C₆H₁₁NO₂S₂
• Molecular Weight: 193.291
• NSC Number: 128866
• DSSTox Substance ID: DTXSID50394269

Synonyms:7629-48-3;NSC128866;DTXSID50394269;AKOS024333483;NSC-128866;3-[(ethylcarbamothioyl)sulfanyl]propanoic acid;3-(N-ETHYLTHIOCARBAMOYLTHIO)-PROPIONIC ACID

Chemical Property of 3-[(Ethylcarbamothioyl)sulfanyl]propanoic acid

Chemical Property:

• Vapor Pressure: 2.58E-05mmHg at 25°C
• Boiling Point: 333.7°Cat760mmHg
• Flash Point: 155.6°C
• Density: 1.288g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 193.02312094
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=S)SCCC(=O)O

Technology Process of 3-[(Ethylcarbamothioyl)sulfanyl]propanoic acid

There total 5 articles about 3-[(Ethylcarbamothioyl)sulfanyl]propanoic acid 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:

β-Propiolactone (57-57-8) → N-Ethyl-S-thiocarbamylthio-hydracylsaeure (7629-48-3)

Guidance literature:

With water;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + β-Propiolactone (57-57-8) + ethylamine (75-04-7,85404-22-4) → N-Ethyl-S-thiocarbamylthio-hydracylsaeure (7629-48-3)

Guidance literature:

Multistep reaction; (i) NaOH, EtOH, (ii) /BRN= 1360/;

DOI:10.1021/jm00332a003

Reference yield:

Natrium-N-ethyl-dithiocarbamat (13036-87-8) + sodium 3-chloroproanoate (16987-03-4) → N-Ethyl-S-thiocarbamylthio-hydracylsaeure (7629-48-3)

Guidance literature:

In water;

DOI:10.1039/jr9620004072

upstream raw materials:

ethyl-dithiocarbamic acid-(2-cyano-ethyl ester)

carbon disulfide

β-Propiolactone

ethylamine

Downstream raw materials:

3-Ethyl-2-thioxotetrahydro-1,3-thiazin-4-on

3-ethylthiocarbamoylsulfanyl-propionic acid-(N'-phenyl-hydrazide)

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