S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid

Base Information

• Chemical Name: S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid
• CAS No.: 4007-01-6
• Molecular Formula: C5H9 N O2 S2
• Molecular Weight: 179.264
• Hs Code.: 2930909090
• European Community (EC) Number: 679-844-2
• NSC Number: 179791
• DSSTox Substance ID: DTXSID30306784
• Nikkaji Number: J1.420.673F
• Wikidata: Q82054063
• Mol file: 4007-01-6.mol

Synonyms:S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid;4007-01-6;2-((dimethylcarbamothioyl)thio)acetic acid;2-(dimethylcarbamothioylsulfanyl)acetic acid;[(dimethylcarbamothioyl)sulfanyl]acetic acid;{[(Dimethylamino)carbonothioyl]thio}acetic acid;SCHEMBL9017379;DTXSID30306784;FYGUGMCPHDSCLF-UHFFFAOYSA-N;MFCD00021765;NSC179791;NSC-179791;2-(dimethylcarbamothioylthio)acetic acid;2-((dimethylcarbamothioyl)thio)aceticacid;CS-0151337;D2500;2-(DIMETHYLTHIOCARBAMOYLTHIO)ACETIC ACID;T70881;S-(N,N-Dimethylthiocarbamoyl)mercaptoacetic Acid;Acetic acid, [[(dimethylamino)thioxomethyl]thio]-;SR-01000390551;SR-01000390551-1;acetic acid, 2-[[(dimethylamino)thioxomethyl]thio]-

Chemical Property of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid

Chemical Property:

• Melting Point: 148.0 to 152.0 °C
• Boiling Point: 292.5oC at 760 mmHg
• Flash Point: 130.7oC
• PSA: 97.93000
• Density: 1.359g/cm3
• LogP: 0.65070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 179.00747088
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid

There total 10 articles about S-(N,N-Dimethylthiocarbamoyl)thioglycolic 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:

S-Aethoxycarbonylmethyl-N,N-dimethyl-dithiocarbamat (20821-67-4) → 2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid (4007-01-6)

Guidance literature:

With potassium hydroxide;

Reference yield:

bromoacetic acid (79-08-3) + sodium dimethyldithiocarbamate (128-04-1) → 2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid (4007-01-6)

Guidance literature:

With sodium hydroxide; for 20h;

DOI:10.1021/jf000378g

Reference yield:

sodium monochloroacetic acid (3926-62-3) + sodium dimethyldithiocarbamate (128-04-1) → 2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid (4007-01-6)

Guidance literature:

In water;

DOI:10.1039/jr9620004072

upstream raw materials:

S-(Dimethylthiocarbamoyl)thioglycolonitrile

S-Aethoxycarbonylmethyl-N,N-dimethyl-dithiocarbamat

sodium monochloroacetic acid

sodium dimethyldithiocarbamate

Downstream raw materials:

dimethylthiocarbamoylsulfanyl-acetic acid methyl ester

S-Aethoxycarbonylmethyl-N,N-dimethyl-dithiocarbamat

triphenyltin dimethyldithiocarbamylacetate

tri-cyclohexyltin dimethyldithiocarbamate

Refernces

• 1、 Tiwari,Pandey. "Possible anti parkinsonian compounds. IV. Synthesis of piperazine 1,4 bis (amino dithiocarbamyl acetates and propionates)". . p. 440 - 442. Retrieved 2007/10/05.