4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione

Base Information

Chemical Name:4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione
CAS No.:170959-40-7
Molecular Formula:C7H8N4OS
Molecular Weight:196.233
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40439577
Wikidata:Q82255560
Mol file:170959-40-7.mol

Synonyms:170959-40-7;4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione;2,4-DIHYDRO-4-METHYL-5-(4-METHYL-5-OXAZOLYL)-3H-1,2,4-TRIAZOLE-3-THIONE;4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-methyl-3-(4-methyl-1,3-oxazol-5-yl)-1H-1,2,4-triazole-5-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(4-methyl-5-oxazolyl)-;SCHEMBL378519;DTXSID40439577;MFCD09261265;AKOS006331050;AKOS017405096;AM81156;A881970

Suppliers and Price of 4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-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-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione 95+%
250mg
$ 352.00

Crysdot
4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione 95+%
1g
$ 880.00

American Custom Chemicals Corporation
4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE 95.00%
5MG
$ 502.33

Total 2 raw suppliers

Chemical Property of 4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione

Chemical Property:

PSA：95.54000
LogP:1.06720
Storage Temp.:2-8°C
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:196.04188206
Heavy Atom Count:13
Complexity:267

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(OC=N1)C2=NNC(=S)N2C

Technology Process of 4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-thione

There total 8 articles about 4-Methyl-3-(4-methyloxazol-5-yl)-1H-1,2,4-triazole-5(4H)-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: 71.0%

: 170959-38-3
1-(4-methyloxazole-5-carboxyl)-4-methylthiosemicarbazide

: 170959-40-7
5-(4-methyl-5-oxazoyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: With sodium carbonate; for 4h; Heating;
DOI:10.1002/jhet.5570320424

Reference yield: 53.0%

: 2510-32-9
4-methyl-1,3-oxazole-5-carboxylic acid

: 6610-29-3
4-methylthiosemicarbazide

: 170959-40-7
4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: 4-methyl-1,3-oxazole-5-carboxylic acid; 4-methylthiosemicarbazide; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; N,N-dimethyl-formamide; at 0 - 20 ℃; for 6.33333h;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield: 53.0%

: 2510-32-9
4-methyl-1,3-oxazole-5-carboxylic acid

: 6610-29-3
4-methylthiosemicarbazide

: 170959-40-7
5-(4-methyl-5-oxazoyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: 4-methyl-1,3-oxazole-5-carboxylic acid; 4-methylthiosemicarbazide; With 2-propane phosphonic acid anhydride; N-ethyl-N,N-diisopropylamine; In ethyl acetate; N,N-dimethyl-formamide; at 0 - 20 ℃; for 6.33333h;

With sodium hydroxide; In water; at 70 ℃; pH=11;

With hydrogenchloride; In water; for 8h; pH=5; Product distribution / selectivity;