3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-
CAS No.:117258-29-4
Molecular Formula:C₇H₇N₃OS
Molecular Weight:181.218
Hs Code.:
European Community (EC) Number:834-123-3
DSSTox Substance ID:DTXSID20151745
Nikkaji Number:J347.386D
Wikidata:Q83018289
ChEMBL ID:CHEMBL96557
Mol file:117258-29-4.mol

Synonyms:117258-29-4;BRN 4182361;3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-;4-methyl-3-thiophen-2-yl-1H-1,2,4-triazol-5-one;2,4-Dihydro-4-methyl-5-(2-thienyl)-3H-1,2,4-triazol-3-one;CHEMBL96557;SCHEMBL9121239;DTXSID20151745;RGXRZHGPTUWEOH-UHFFFAOYSA-N;LS-156534;EN300-6739863;4-Methyl-5-(2-thienyl)-2H-1,2,4-triazol-3(4H)-one;4-methyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one;5-(2-thienyl)-2,4-dihydro -4-methyl-3H-1,2,4-triazol-3-one;5-(2-Thienyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-

Chemical Property:

Melting Point:183-185 °C(Solv: isopropanol (67-63-0))
PKA:8.26±0.20(Predicted)
PSA：79.18000
Density:1.51g/cm³
LogP:1.24920
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.03098303
Heavy Atom Count:12
Complexity:241

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NNC1=O)C2=CC=CS2

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-

There total 3 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)- 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: 82.0%

: 117258-31-8
C₇H₉N₃O₂S

: 117258-29-4
5-(thien-2-yl)-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: With sodium hydroxide; for 23h; Heating;
DOI:10.1021/jm00172a015

Reference yield:

: 2361-27-5
2-thienylhydrazide

: 117258-29-4
5-(thien-2-yl)-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / tetrahydrofuran / 17 h

2: 82 percent / aq. NaOH / 23 h / Heating

With sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm00172a015