4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

Chemical Name:4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS No.:70452-47-0
Molecular Formula:C17H17N3O3S
Molecular Weight:343.406
Hs Code.:
DSSTox Substance ID:DTXSID30352004
Nikkaji Number:J830.279K
Wikidata:Q82128902
Mol file:70452-47-0.mol

Synonyms:70452-47-0;4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol;4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione;4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol;4-phenyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione;SR-01000418043;Oprea1_652770;Oprea1_716558;SCHEMBL10012170;DTXSID30352004;CCG-18993;MFCD00171216;STK131464;STK868499;AKOS000268436;AKOS000347345;MS-6832;CS-0302568;EN300-110566;AB00095317-01;SR-01000418043-1;SR-01000418043-2;4-Phenyl-5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazole-3-thiol;4-PHENYL-3-(3,4,5-TRIMETHOXYPHENYL)-1,2,4-TRIAZOLINE-5-THIONE

Suppliers and Price of 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-Phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol 97%
5g
$ 874.00

American Custom Chemicals Corporation
4-PHENYL-5-(3,4,5-TRIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL 95.00%
10MG
$ 703.40

Total 4 raw suppliers

Chemical Property of 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

PSA：97.20000
LogP:3.24880
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:343.09906259
Heavy Atom Count:24
Complexity:468

Purity/Quality:

99% ^*data from raw suppliers

4-Phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=CC=C3

Technology Process of 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

There total 9 articles about 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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: 93.0%

: 70452-38-9
4-phenyl-1-(3,4,5-trimethoxy-benzoyl)-thiosemicarbazide

: 70452-47-0
4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: With sodium hydroxide; for 3h; Heating;
DOI:10.1021/jm00378a007

Reference yield:

: 3291-03-0
3,4,5-trimethoxybenzohydrazide

: 70452-47-0
4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / 1 h / Heating

2: 85 percent / 5percent NaOH / H₂O / 4 h / Heating

With sodium hydroxide; In water;

Reference yield:

: 6178-44-5
ethyl 3,4,5-trimethoxybenzoate

: 70452-47-0
4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: Multi-step reaction with 3 steps

1: H₂NNH₂*H₂O / 6 h / Heating

2: ethanol / 4 h / Heating

3: 93 percent / aq. NaOH / 3 h / Heating

With sodium hydroxide; hydrazine hydrate; In ethanol;
DOI:10.1021/jm00378a007