5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide

Base Information

Chemical Name:5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide
CAS No.:168893-36-5
Molecular Formula:C₁₀H₁₀BrN₅S
Molecular Weight:312.193
Hs Code.:
DSSTox Substance ID:DTXSID501157069
ChEMBL ID:CHEMBL321291

Synonyms:CHEMBL321291;SCHEMBL9044356;DTXSID501157069;5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide;168893-36-5

Suppliers and Price of 5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide

Supply Marketing:

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

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Chemical Property of 5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:310.98403
Heavy Atom Count:17
Complexity:282

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)Br)N

Technology Process of 5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide

There total 3 articles about 5-Amino-3-(4-bromophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide 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: 17.0%

: 54464-13-0
5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

: 556-61-6
methyl thioisocyanate

: 168893-36-5
5-amino-3-(4-bromophenyl)-1-[methylamino(thiocarbonyl)]-1H-1,2,4-triazole

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; for 1h; Ambient temperature;
DOI:10.1021/jm9507993

Reference yield: 17.0%

: 168893-36-5
5-amino-3-(4-bromophenyl)-1-[methylamino(thiocarbonyl)]-1H-1,2,4-triazole

Guidance literature:

Reference yield:

: 619-42-1
4-methoxycarbonylphenyl bromide

: 168893-36-5
5-amino-3-(4-bromophenyl)-1-[methylamino(thiocarbonyl)]-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: NaOMe / methanol / 18 h / Heating

2: 17 percent / 1 N aq. NaOH / tetrahydrofuran / 1 h / Ambient temperature

With sodium hydroxide; sodium methylate; In tetrahydrofuran; methanol;
DOI:10.1021/jm9507993