2-Mercapto-5-methylbenzonitrile

Base Information

Chemical Name:2-Mercapto-5-methylbenzonitrile
CAS No.:939970-67-9
Molecular Formula:C₈H₇NS
Molecular Weight:149.216
Hs Code.:
European Community (EC) Number:824-972-8

Synonyms:2-mercapto-5-methylbenzonitrile;939970-67-9;5-methyl-2-sulfanylbenzonitrile;AT20893;EN300-366292

Suppliers and Price of 2-Mercapto-5-methylbenzonitrile

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

Total 1 raw suppliers

Chemical Property of 2-Mercapto-5-methylbenzonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:149.02992040
Heavy Atom Count:10
Complexity:158

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)S)C#N

Technology Process of 2-Mercapto-5-methylbenzonitrile

There total 2 articles about 2-Mercapto-5-methylbenzonitrile 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: 67.0%

: 939970-59-9
2-benzylsulfanyl-5-methylbenzonitrile

: 939970-67-9
2-mercapto-5-methylbenzonitrile

Guidance literature:: With aluminium trichloride; In benzene; at 20 ℃; for 48h;
DOI:10.1021/jm070050f

Reference yield:

: 64113-86-6
2-nitro-5-methylbenzonitrile

: 939970-67-9
2-mercapto-5-methylbenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / KOH / dimethylformamide; H₂O / 2 h / 4 °C

2: 67 percent / AlCl₃ / benzene / 48 h / 20 °C

With potassium hydroxide; aluminium trichloride; In water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm070050f