5-Amino-4-phenyl-4h-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-Amino-4-phenyl-4h-1,2,4-triazole-3-thiol
• CAS No.: 5373-68-2
• Molecular Formula: C8H8N4S
• Molecular Weight: 192.244
• European Community (EC) Number: 684-285-2
• NSC Number: 148162,45892
• DSSTox Substance ID: DTXSID80968497
• Nikkaji Number: J1.713.262H
• Mol file: 5373-68-2.mol

Synonyms:5-amino-4-phenyl-4h-1,2,4-triazole-3-thiol;5373-68-2;NSC45892;5-Amino-4-phenyl-4H-[1,2,4]triazole-3-thiol;CBDivE_003148;SCHEMBL544662;SCHEMBL11432385;DTXSID80968497;5-amino-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;NSC-45892;NSC148162;STL272151;STL283838;AKOS000113634;AKOS003620146;NSC-148162;SDCCGMLS-0064557.P001;5-amino-4-phenyl-4 h-[1,2,4]triazole-3-thiol;5-IMINO-4-PHENYL-1,2,4-TRIAZOLIDINE-3-THIONE;5-Imino-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-thiol

Chemical Property of 5-Amino-4-phenyl-4h-1,2,4-triazole-3-thiol

Chemical Property:

• Density: 1.26g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.04696745
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)N

Technology Process of 5-Amino-4-phenyl-4h-1,2,4-triazole-3-thiol

There total 28 articles about 5-Amino-4-phenyl-4h-1,2,4-triazole-3-thiol 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: 84.0%

phenyl isothiocyanate (103-72-0) + 2-amino-1-phenylguanidine hydroiodide → 3-amino-4-phenyl-Δ2-1,2,4-triazoline-5-thione (5373-68-2)

Guidance literature:

In N,N-dimethyl acetamide; at 110 - 120 ℃; for 5h;

DOI:10.3987/COM-02-9461

Reference yield: 70.0%

CYANAMID (420-04-2) + phenylthiosemicarbazide hydrochloride (105941-44-4) → 3-Amino-5-mercapto-4-phenyl-1,2,4-triazole (5373-68-2) + 2-Amino-5-phenylamino-1,3,4-thiadiazole (21123-44-4)

Guidance literature:

for 0.166667h; Heating;

Reference yield:

1-phenyl-2,5-dithiobiurea (16437-66-4) + aniline (62-53-3) → 4?phenyl?3?(phenylamino)?1H?1,2,4?triazole?5(4H)?thione (14132-84-4) + 5-amino-4-phenyl-2,4-dihydro-[1,2,4]triazolidine-3-thione (5373-68-2)

Guidance literature:

upstream raw materials:

thiosemicarbazide

aniline

bithiourea

1-phenyl-2,5-dithiobiurea

Downstream raw materials:

5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-amine

5-(4-chlorobenzylideneamino)-4-phenyl-4H-1,2,4-triazole-3-thiol

5-(2-chlorobenzylideneamino)-4-phenyl-4H-1,2,4-triazole-3-thiol

5-(3-nitrobenzylideneamino)-4-phenyl-4H-1,2,4-triazole-3-thiol