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

Base Information

Chemical Name:3-(2-Methoxyphenyl)-4H-1,2,4-triazole-5-thiol
CAS No.:39631-37-3
Molecular Formula:C9H9N3OS
Molecular Weight:207.256
Hs Code.:
DSSTox Substance ID:DTXSID30358960
Nikkaji Number:J1.098.480G
Wikidata:Q82139907
ChEMBL ID:CHEMBL4855199

Synonyms:CHEMBL4855199;Oprea1_642754;SCHEMBL2666945;SCHEMBL8978590;DTXSID30358960;BDBM50569309;STK704621;STL182264;AKOS000295719;AKOS002237012;AKOS023366530;SDCCGMLS-0065123.P001;3-(2-methoxyphenyl) 5-mercapto-1,2,4-triazole;SR-01000208004;SR-01000208004-1;Z57477045;5-(2-Methoxyphenyl)-1H-1,2,4-triazole-3(2H)-thione;5-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL;5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Suppliers and Price of 3-(2-Methoxyphenyl)-4H-1,2,4-triazole-5-thiol

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-(2-Methoxyphenyl)-4H-1,2,4-triazole-5-thiol

Chemical Property:

Melting Point:230 °C(Solv: ethanol (64-17-5))
Boiling Point:319.2±44.0 °C(Predicted)
PSA：89.60000
Density:1.39±0.1 g/cm3(Predicted)
LogP:1.76900
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:207.04663309
Heavy Atom Count:14
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=C1C2=NC(=S)NN2

Technology Process of 3-(2-Methoxyphenyl)-4H-1,2,4-triazole-5-thiol

There total 11 articles about 3-(2-Methoxyphenyl)-4H-1,2,4-triazole-5-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: 95.0%

: 1448538-32-6
4-benzyl-3-(2-methoxyphenyl)-5-(phenylsulfanyl)-4H-1,2,4-triazole

: 39631-37-3
3-(o-methoxyphenyl)-5-mercapto-4H-1,2,4-triazole

Guidance literature:: With aluminum (III) chloride; In toluene; at 60 ℃; for 4h;
DOI:10.1016/j.tetlet.2013.06.067

Reference yield: 88.0%

: 7653-42-1
N¹-(o-methoxybenzoyl)-3-thiosemicarbazide

: 39631-37-3
3-(o-methoxyphenyl)-5-mercapto-4H-1,2,4-triazole

Guidance literature:: With sodium hydroxide; for 0.05h; microwave irradiation;
DOI:10.1081/SCC-100105335

Reference yield: 67.37%

: 2290-65-5
trimethylsilyl isothiocyanate

: 7466-54-8
2-methoxybenzoylhydrazine

: 39631-37-3
3-(o-methoxyphenyl)-5-mercapto-4H-1,2,4-triazole

Guidance literature:: trimethylsilyl isothiocyanate; 2-methoxybenzoylhydrazine; In ethanol; at 0 - 90 ℃; for 4h;

With sodium hydroxide; In ethanol; at 90 ℃; for 4h;