Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-

Base Information

Chemical Name:Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-
CAS No.:111828-05-8
Molecular Formula:C₁₀H₈BrN₅S
Molecular Weight:310.177
Hs Code.:
DSSTox Substance ID:DTXSID70406358
Mol file:111828-05-8.mol

Synonyms:111828-05-8;2-((4-Amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile;Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-;DTXSID70406358;AKOS005370981;{[4-AMINO-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL CYANIDE

Suppliers and Price of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:308.96838
Heavy Atom Count:17
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NN=C(N2N)SCC#N)Br

Technology Process of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-

There total 2 articles about Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- 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: 58.0%

: 85106-58-7
4?amino?5?(4?bromophenyl)?4H?1,2,4?triazole?3?thiol

: 107-14-2
chloroacetonitrile

: 111828-05-8
4-Amino-5-(4-bromophenyl)-3-cyanomethylthio-1,2,4-triazole

Guidance literature:: In ethanol; for 4h; Heating;
DOI:10.1002/jhet.5570230540

Reference yield:

: 85106-56-5
p-bromobenzoylhydrazinyl dithiocarbamate potassium salt

: 111828-05-8
4-Amino-5-(4-bromophenyl)-3-cyanomethylthio-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / Hydrazine hydrate / H₂O / 1 h / Heating

2: 58 percent / ethanol / 4 h / Heating

With hydrazine hydrate; In ethanol; water;
DOI:10.1002/jhet.5570230540