[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

Base Information

• Chemical Name: [(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
• CAS No.: 68161-34-2
• Molecular Formula: C10H9N3O2S2
• Molecular Weight: 267.332
• DSSTox Substance ID: DTXSID90498270
• Mol file: 68161-34-2.mol

Synonyms:68161-34-2;[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid;DTXSID90498270;AKOS008965125

Chemical Property of [(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 267.01361889
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)O

Technology Process of [(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

There total 2 articles about [(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic 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: 76.5%

chloroacetic acid (79-11-8) + 5-phenylamino-2-mercapto-1,3,4-thiadiazole (10253-83-5) → 2-phenylamino-5-carboxymethylthio-1,3,4-thiadiazole (68161-34-2)

Guidance literature:

With sodium hydroxide; In water; for 1h; Heating;

DOI:10.1007/BF00507088

Reference yield:

3-(3-phenylthioureido)thiazolidine-2-thion-4-one (35533-25-6) + formic acid (64-18-6) → 2-phenylamino-5-carboxymethylthio-1,3,4-thiadiazole (68161-34-2)

Guidance literature:

In water; at 100 ℃; for 2h;

DOI:10.1007/BF00507088

Reference yield: 45.0%

2-phenylamino-5-carboxymethylthio-1,3,4-thiadiazole (68161-34-2) + 1,2-diamino-benzene (95-54-5) → [5-(1H-Benzoimidazol-2-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-phenyl-amine

Guidance literature:

In hydrogenchloride; for 10h; Heating;

upstream raw materials:

chloroacetic acid

5-phenylamino-2-mercapto-1,3,4-thiadiazole

3-(3-phenylthioureido)thiazolidine-2-thion-4-one

formic acid

Downstream raw materials:

[Cu(C₂N₂S(NHC₆H₅)SCH₂COO)2]

[Fe(C₂N₂S(NHC₆H₅)SCH₂COO)2(H₂O)2]

[Co(C₂N₂S(NHC₆H₅)SCH₂COO)2(H₂O)2]

[Ni(C₂N₂S(NHC₆H₅)SCH₂COO)2(H₂O)2]