S-(Phenylthiocarbamoyl)thioglycolic acid

Base Information

• Chemical Name: S-(Phenylthiocarbamoyl)thioglycolic acid
• CAS No.: 53278-51-6
• Molecular Formula: C₉H₉NO₂S₂
• Molecular Weight: 227.308
• ChEMBL ID: CHEMBL449558
• DSSTox Substance ID: DTXSID401248267
• Mol file: 53278-51-6.mol

Synonyms:S-(Phenylthiocarbamoyl)thioglycolic acid;53278-51-6;CHEMBL449558;SCHEMBL2702341;DTXSID401248267;2-[[(Phenylamino)thioxomethyl]thio]acetic acid

Chemical Property of S-(Phenylthiocarbamoyl)thioglycolic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 227.00747088
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)SCC(=O)O

Technology Process of S-(Phenylthiocarbamoyl)thioglycolic acid

There total 3 articles about S-(Phenylthiocarbamoyl)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:

carbon disulfide (75-15-0,12122-00-8) + sodium monochloroacetic acid (3926-62-3) + aniline (62-53-3) → S-(phenylthiocarbamoyl)thioglycolic acid (53278-51-6)

Guidance literature:

carbon disulfide; aniline; With potassium hydroxide; In ethanol; at 0.2 ℃;

sodium monochloroacetic acid; In water; at 0.2 ℃;

DOI:10.1155/2015/879343

Reference yield:

phenyl-dithiocarbamic acid; sodium salt (18418-42-3) + sodium monochloroacetic acid (3926-62-3) → S-(phenylthiocarbamoyl)thioglycolic acid (53278-51-6)

Guidance literature:

Reference yield:

→ S-(phenylthiocarbamoyl)thioglycolic acid (53278-51-6)

Guidance literature:

entspr. Isocyanat, Thioglykolat;

upstream raw materials:

phenyl-dithiocarbamic acid; sodium salt

sodium monochloroacetic acid

carbon disulfide

aniline

Downstream raw materials:

3-phenyl-2,4-thiazolidinedione

4-Phenyl-3-thiosemicarbazide

3-mercapto-5-methyl-4-phenyl-4H-1,2,4-triazole