5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide

Base Information

Chemical Name:5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide
CAS No.:38054-60-3
Molecular Formula:C₁₆H₁₆N₃S*I
Molecular Weight:409.294
Hs Code.:2933990090
European Community (EC) Number:620-603-8
ChEMBL ID:CHEMBL1214174
Mol file:38054-60-3.mol

Synonyms:38054-60-3;5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide;5-Methyl-3-(methylthio)-1,4-diphenyl-4H-1,2,4-triazol-1-ium iodide;SCHEMBL9067658;CHEMBL1214174;AKOS015898495;AKOS024370954;5-methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazol-4-ium iodide;5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide, 98%

Suppliers and Price of 5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide

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

Sigma-Aldrich
5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide 98%
5g
$ 138.00

American Custom Chemicals Corporation
5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE 95.00%
5G
$ 938.67

AHH
5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide 98%
25g
$ 300.00

Total 6 raw suppliers

Chemical Property of 5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide

Chemical Property:

Melting Point:254-255oC(lit.)
PSA：47.00000
LogP:0.18330
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:409.01097
Heavy Atom Count:21
Complexity:300

Purity/Quality:

98% ^*data from raw suppliers

5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=[N+](C(=NN1C2=CC=CC=C2)SC)C3=CC=CC=C3.[I-]

Technology Process of 5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide

There total 5 articles about 5-Methyl-3-(methylthio)-1,4-diphenyl-1H-1,2,4-triazolium iodide 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:

: 54211-56-2
3-methyl-1,4-diphenyl isothiosemicarbazide

: 38054-60-3
5-methyl-3-methylthio-1,4-diphenyl-1,2,4-triazolium iodide

Guidance literature:: Multi-step reaction with 2 steps

2: aqueous KI - NaHSO₃ solution

With sodium hydrogensulfite; potassium iodide;
DOI:10.1016/S0040-4039(00)93683-9

Reference yield:

: 77331-28-3
3-methylthio-1,4-diphenyl-1,2,4-triazolium chloride

: 38054-60-3
5-methyl-3-methylthio-1,4-diphenyl-1,2,4-triazolium iodide

Guidance literature:: Multi-step reaction with 3 steps

1: 77 percent / Et₃N / CHCl₃

2: thionyl chloride

3: aqueous KI - NaHSO₃ solution

With thionyl chloride; sodium hydrogensulfite; triethylamine; potassium iodide; In chloroform;
DOI:10.1016/S0040-4039(00)93683-9