2-(Phenylthio)benzeneacetonitrile

Base Information

Chemical Name:2-(Phenylthio)benzeneacetonitrile
CAS No.:1527-16-8
Molecular Formula:C14H11NS
Molecular Weight:225.314
Hs Code.:
DSSTox Substance ID:DTXSID901299003

Synonyms:2-(Phenylthio)benzeneacetonitrile;1527-16-8;SCHEMBL8590717;2-(phenylthio)phenylacetonitrile;POEOFFRTAAOWOX-UHFFFAOYSA-N;DTXSID901299003;AKOS005216140

Suppliers and Price of 2-(Phenylthio)benzeneacetonitrile

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 3 raw suppliers

Chemical Property of 2-(Phenylthio)benzeneacetonitrile

Chemical Property:

PSA：49.09000
LogP:3.90388
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:225.06122053
Heavy Atom Count:16
Complexity:249

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=CC=CC=C2CC#N

Technology Process of 2-(Phenylthio)benzeneacetonitrile

There total 11 articles about 2-(Phenylthio)benzeneacetonitrile 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:

: C₁₅H₁₃F₃NO₃S₂⁽¹⁺⁾*CF₃O₃S^(1-)

: 1527-16-8
2-phenylthiophenylacetonitrile

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; In dichloromethane; at -30 ℃; for 0.166667h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;
DOI:10.1021/jacs.7b00969

Reference yield:

: 13963-35-4
2-(phenylthio)toluene

: 1527-16-8
2-phenylthiophenylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NBS, (PhCO)2O / CCl₄ / Irradiation

2: aq. ethanol

With N-Bromosuccinimide; benzoic acid anhydride; In tetrachloromethane; ethanol;

Reference yield:

: 945-51-7
1,1'-sulfinylbisbenzene

: 1527-16-8
2-phenylthiophenylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 0.17 h / -30 °C / Inert atmosphere

2: 1,4-diaza-bicyclo[2.2.2]octane / dichloromethane / 0.17 h / -30 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; In dichloromethane;
DOI:10.1021/jacs.7b00969