3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Base Information

Chemical Name:3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CAS No.:86671-57-0
Molecular Formula:C₁₀H₉N₅S
Molecular Weight:231.281
Hs Code.:
DSSTox Substance ID:DTXSID90427747
Nikkaji Number:J449.743K
Wikidata:Q82240434
ChEMBL ID:CHEMBL5020878

Synonyms:3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine;86671-57-0;CHEMBL5020878;DTXSID90427747;STL266986;AKOS003624298;SR-01000009148;SR-01000009148-1;3-Methyl-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine;(3-methyl-4H-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)-phenyl-amine

Suppliers and Price of 3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Supply Marketing:

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

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Chemical Property of 3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Chemical Property:

PSA：86.58000
LogP:1.65970
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:231.05786648
Heavy Atom Count:16
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C2N1N=C(S2)NC3=CC=CC=C3

Technology Process of 3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

There total 3 articles about 3-methyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine 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: 62.0%

: 103-72-0
phenyl isothiocyanate

: 20939-15-5
3-methyl-4-amino-5-mercapto-1,2,4-triazole

: 86671-57-0
(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenyl-amine

Guidance literature:: In N,N-dimethyl-formamide; for 24h; Heating;
DOI:10.1055/s-1983-30360

Reference yield:

: 60783-85-9
N_⁽¹⁾-(5-mercapto-3-methyl-4H-1,2,4-triazol-4-yl)-N-phenylthiourea

: 86671-57-0
(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenyl-amine

Guidance literature:: In N,N-dimethyl-formamide; for 12h; Heating;
DOI:10.1055/s-1983-30360

Reference yield:

: 103-72-0
phenyl isothiocyanate

: 86671-57-0
(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenyl-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / dimethylformamide / 12 h / Ambient temperature

2: dimethylformamide / 12 h / Heating

In N,N-dimethyl-formamide;
DOI:10.1055/s-1983-30360