2-(Ethylsulfanyl)benzonitrile

Base Information

Chemical Name:2-(Ethylsulfanyl)benzonitrile
CAS No.:64633-76-7
Molecular Formula:C9H9NS
Molecular Weight:163.243
Hs Code.:
DSSTox Substance ID:DTXSID90528586
Wikidata:Q82398342

Synonyms:2-(Ethylsulfanyl)benzonitrile;64633-76-7;2-ethylsulfanylbenzonitrile;2-(Ethylthio)benzonitrile;2-Ethylsulfanyl-benzonitrile;SCHEMBL4599675;DTXSID90528586;BFLMZPFXXUVDMO-UHFFFAOYSA-N;AKOS000262272;AT20895;EN300-317295

Suppliers and Price of 2-(Ethylsulfanyl)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

TRC
2-(ethylsulfanyl)benzonitrile
50mg
$ 90.00

AK Scientific
2-(Ethylsulfanyl)benzonitrile
1g
$ 522.00

Total 3 raw suppliers

Chemical Property of 2-(Ethylsulfanyl)benzonitrile

Chemical Property:

Boiling Point:278.8±23.0 °C(Predicted)
PSA：49.09000
Density:1.11±0.1 g/cm3(Predicted)
LogP:2.67028
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Heavy Atom Count:11
Complexity:158

Purity/Quality:

99% ^*data from raw suppliers

2-(ethylsulfanyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC1=CC=CC=C1C#N

Technology Process of 2-(Ethylsulfanyl)benzonitrile

There total 4 articles about 2-(Ethylsulfanyl)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: 85.0%

: 2042-37-7
o-cyanobromobenzene

: 75-08-1
ethanethiol

: 64633-76-7
o-ethylmercapto-benzonitrile

Guidance literature:: With potassium tert-butylate; In ammonia; for 0.5h; Irradiation;
DOI:10.1016/S0040-4020(01)88635-X

Reference yield: 75.0%

: 64633-76-7
o-ethylmercapto-benzonitrile

Guidance literature:: With glacial acetic acid; sodium iodide; In acetonitrile; at 120 ℃; for 24h; Reagent/catalyst; Temperature; Solvent; Sealed tube;

Reference yield:

: 3058-46-6
1-ethylsulfanyl-2-nitrobenzene

: 64633-76-7
o-ethylmercapto-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: iron; hydrochloric acid; copper (II)-chloride

2: Diazotization_.Eintragen der Diazoloesung in eine waessr. Suspension von Kupfer(I)-cyanid bei 60grad

With hydrogenchloride; iron; copper dichloride;