4-(Sulfanylmethyl)benzonitrile

Base Information

Chemical Name:4-(Sulfanylmethyl)benzonitrile
CAS No.:51776-12-6
Molecular Formula:C8H7NS
Molecular Weight:149.216
Hs Code.:
European Community (EC) Number:842-745-1
Nikkaji Number:J916.716A

Synonyms:4-(sulfanylmethyl)benzonitrile;51776-12-6;4-(mercaptomethyl)benzonitrile;SCHEMBL1145538;NZKAHCXIOQIGCS-UHFFFAOYSA-N;AKOS016352928;AM100901;NS-01138;EN300-181425;F77220

Suppliers and Price of 4-(Sulfanylmethyl)benzonitrile

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 4 raw suppliers

Chemical Property of 4-(Sulfanylmethyl)benzonitrile

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.02992040
Heavy Atom Count:10
Complexity:139

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CS)C#N

Technology Process of 4-(Sulfanylmethyl)benzonitrile

There total 7 articles about 4-(Sulfanylmethyl)benzonitrile 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: 80.0%

: 17201-43-3
4-cyanobenzyl bromide

: 51776-12-6
4-(sulfanylmethyl)benzonitrile

Guidance literature:: With thiourea;
DOI:10.1021/jo00089a030

Reference yield:

: 4-Octylsulfanylmethyl-benzonitrile

: 111-65-9
octane

: 111-88-6
Octanethiol

: 111-66-0,25068-25-1
oct-1-ene

: 4381-02-6
1,2-bis-(4-cyanophenyl)ethane

: 51776-12-6
4-(sulfanylmethyl)benzonitrile

: 4-nonylbenzonitrile

Guidance literature:: With hydrogen; In acetone; at -78 ℃; under 3.5 Torr; Mechanism; Product distribution; other alkyl substituted-benzyl sulfides and alkyl sulfides, competition with n-octyl benzyl sulfide, reaction rate relative to n-octyl benzyl sulfide, microwave generation of H from H₂, reaction time 5-17 min;
DOI:10.1021/jo9615615