3-[(Dimethylcarbamothioyl)sulfanyl]propanoic acid

Base Information

• Chemical Name: 3-[(Dimethylcarbamothioyl)sulfanyl]propanoic acid
• CAS No.: 7629-44-9
• Molecular Formula: C₆H₁₁NO₂S₂
• Molecular Weight: 193.291
• NSC Number: 512745,179794
• DSSTox Substance ID: DTXSID00306791
• Wikidata: Q82054070
• Mol file: 7629-44-9.mol

Synonyms:7629-44-9;NSC512745;3-[(Dimethylcarbamothioyl)sulfanyl]propanoic acid;SCHEMBL9422705;DTXSID00306791;NSC179794;NSC-179794;NSC-512745

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

Chemical Property:

• Vapor Pressure: 7.36E-05mmHg at 25°C
• Boiling Point: 318.9°C at 760 mmHg
• Flash Point: 146.7°C
• Density: 1.302g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 193.02312094
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)SCCC(=O)O

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

There total 5 articles about 3-[(Dimethylcarbamothioyl)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) + Oxo-phenylamino-acetyl azide → β,β--propionsaeure (7629-44-9)

Guidance literature:

With water; at 20 ℃;

Reference yield:

S-<2-Cyanoaethyl>-N,N-dimethyl-dithiocarbamat (10264-38-7) → β,β--propionsaeure (7629-44-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

sodium 3-chloroproanoate (16987-03-4) + sodium dimethyldithiocarbamate (128-04-1) → β,β--propionsaeure (7629-44-9)

Guidance literature:

In water;

DOI:10.1039/jr9620004072

upstream raw materials:

β-Propiolactone

S-<2-Cyanoaethyl>-N,N-dimethyl-dithiocarbamat

3-Bromopropionic acid

sodium dimethyldithiocarbamate