4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

• Chemical Name: 4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS No.: 97035-89-7
• Molecular Formula: C8H9N5S
• Molecular Weight: 207.259
• DSSTox Substance ID: DTXSID70538269
• Nikkaji Number: J1.498.975G
• Wikidata: Q82413572

Synonyms:97035-89-7;SCHEMBL4350463;SCHEMBL8978568;DTXSID70538269;4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.05786648
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NNC(=S)N2N)N

Technology Process of 4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

There total 9 articles about 4-Amino-5-(2-aminophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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: 87.0%

2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole (203268-81-9,32058-76-7) → 4-amino-3-mercapto-5-(o-aminophenyl)-1,2,4-triazole (97035-89-7)

Guidance literature:

With hydrazine hydrate; for 5h; Heating;

DOI:10.1080/10426509908037005

Reference yield: 40.0%

C8H6N3O3S2(1-)*K(1+) → 5-(o-aminophenyl)-4-amino-3-mercapto-1,2,4-triazole (97035-89-7) + 5-(2-aminophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (32058-76-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Heating;

DOI:10.1002/jhet.5570310653

Reference yield:

C8H8N3O2S(1-)*K(1+) → 4-amino-3-mercapto-5-(o-aminophenyl)-1,2,4-triazole (97035-89-7)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; at 80 ℃; for 8h;

DOI:10.13005/ojc/320528

upstream raw materials:

anthranilic acid

Thiocarbohydrazide

2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole

carbon disulfide

Downstream raw materials:

3-mercapto-6-(p-methoxyphenyl)-s-triazolo[4,3-d]-1,3,4,2-benzotriazaphosphopine-6-sulphide

4-amino-3-benzylthio-5-(o-aminophenyl)-1,2,4-triazole

4-amino-3[(N-phenyl)carboxamidomethylthio]-5-(o-aminophenyl)-s-triazole

4-amino-3-methylthio-5-(o-aminophenyl)-1,2,4-triazole

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