(Benzylsulfanyl)acetonitrile

Base Information

Chemical Name:(Benzylsulfanyl)acetonitrile
CAS No.:17377-30-9
Molecular Formula:C9H9 N S
Molecular Weight:163.243
Hs Code.:
DSSTox Substance ID:DTXSID50510821
Nikkaji Number:J410.596F
Wikidata:Q82369340
Mol file:17377-30-9.mol

Synonyms:17377-30-9;(benzylsulfanyl)acetonitrile;2-(benzylsulfanyl)acetonitrile;2-benzylsulfanylacetonitrile;2-(benzylthio)acetonitrile;Acetonitrile, 2-[(phenylmethyl)thio]-;BENZYLTHIOACETONITRILE;benzylsulfanyl-acetonitrile;SCHEMBL7100781;DTXSID50510821;AKOS000217465;EN300-130065;Z54337756

Suppliers and Price of (Benzylsulfanyl)acetonitrile

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-(benzylsulfanyl)acetonitrile
50mg
$ 155.00

TRC
2-(benzylsulfanyl)acetonitrile
10mg
$ 45.00

AK Scientific
(Benzylsulfanyl)acetonitrile
500mg
$ 532.00

Total 6 raw suppliers

Chemical Property of (Benzylsulfanyl)acetonitrile

Chemical Property:

Boiling Point:252 °C
PSA：49.09000
Density:1.117±0.06 g/cm3(Predicted)
LogP:2.44338
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:163.04557046
Heavy Atom Count:11
Complexity:141

Purity/Quality:

97% ^*data from raw suppliers

2-(benzylsulfanyl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (Benzylsulfanyl)acetonitrile

There total 9 articles about (Benzylsulfanyl)acetonitrile 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: 89.0%

: 32362-99-5
benzylthioacetate

: 590-17-0
cyanomethyl bromide

: 17377-30-9
alpha-(benzylmercapto)acetonitrile

Guidance literature:: With sodium hydroxide; In methanol; for 24h; Ambient temperature;
DOI:10.1021/jo00125a038

Reference yield: 80.0%

: 107-14-2
chloroacetonitrile

: 100-53-8
phenylmethanethiol

: 17377-30-9
alpha-(benzylmercapto)acetonitrile

Guidance literature:: With sodium methylate; In methanol; Heating;
DOI:10.1071/ch9960243

Reference yield: 77.0%

: 19843-98-2
cyclohexyl benzyl sulfide

: 6011-14-9
2-aminoacetonitrile hydrochloride

: 17377-30-9
alpha-(benzylmercapto)acetonitrile

Guidance literature:: With (phthalocyaninato)iron(II); sodium nitrite; In chloroform; water; at 40 ℃; for 14h; chemoselective reaction; Inert atmosphere;
DOI:10.1039/C8CC08821G