6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

Base Information

Chemical Name:6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
CAS No.:22706-15-6
Molecular Formula:C8H8N4OS
Molecular Weight:208.244
Hs Code.:
DSSTox Substance ID:DTXSID90425566
Nikkaji Number:J687.692G
Wikidata:Q82238458
ChEMBL ID:CHEMBL2261481
Mol file:22706-15-6.mol

Synonyms:4-amino-5-(2-hydroxyphenyl)-2h-1,2,4-triazole-3(4h)-thione;22706-15-6;6-(4-amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one;SCHEMBL8627702;CHEMBL2261481;DTXSID90425566;AKOS003673546;2-(4-amino-5-mercapto-4h-[1,2,4]triazol-3-yl)-phenol;3-(2-Hydroxyphenyl)-4-amino-4H-1,2,4-triazole-5-thiol

Suppliers and Price of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

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

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Chemical Property of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:208.04188206
Heavy Atom Count:14
Complexity:281

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

There total 16 articles about 6-(4-Amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one 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: 90.0%

: 5-(o-hydroxyphenyl)-1,3,4-oxadiazole-3-thione

: 22706-15-6
2-(4-amino-5-mercapto-[1,2,4]triazol-3-yl)phenol

Guidance literature:: With hydrazine hydrate; for 5h; Heating;
DOI:10.1080/10426509908037005

Reference yield: 85.0%

: 75-15-0,12122-00-8
carbon disulfide

: 936-02-7
2-Hydroxybenzoylhydrazine

: 22706-15-6
4-amino-2,4-dihydro-5-(2-hydroxyphenyl)-3H-1,2,4-triazole-3-thione

Guidance literature:: carbon disulfide; 2-Hydroxybenzoylhydrazine; With potassium hydroxide;

With hydrazine hydrate; Reflux;
DOI:10.1016/j.bmcl.2013.02.038

Reference yield: 80.0%

: 75-15-0,12122-00-8
carbon disulfide

: 936-02-7
2-Hydroxybenzoylhydrazine

: 22706-15-6
2-(4-amino-5-mercapto-[1,2,4]triazol-3-yl)phenol

Guidance literature:: carbon disulfide; 2-Hydroxybenzoylhydrazine; With potassium hydroxide; In methanol; at 0 - 5 ℃;

With hydrazine hydrate; at 90 ℃; for 4h; Further stages.;
DOI:10.1139/V06-181