(Phenylthio)acetonitrile

Base Information Edit

Chemical Name:(Phenylthio)acetonitrile
CAS No.:5219-61-4
Molecular Formula:C8H7NS
Molecular Weight:149.216
Hs Code.:29309099
European Community (EC) Number:226-013-3
UNII:QYR5862VFA
DSSTox Substance ID:DTXSID10200216
Nikkaji Number:J265.540C
Wikidata:Q83073275
Mol file:5219-61-4.mol

Synonyms:(Phenylthio)acetonitrile;5219-61-4;PHENYLTHIOACETONITRILE;2-(Phenylthio)acetonitrile;2-phenylsulfanylacetonitrile;Acetonitrile, (phenylthio)-;Phenylmercaptoacetonitrile;Cyanomethyl phenyl sulfide;2-(phenylsulfanyl)acetonitrile;BRN 2042078;EINECS 226-013-3;QYR5862VFA;4-06-00-01538 (Beilstein Handbook Reference);phenylsulfanyl-acetonitrile;UNII-QYR5862VFA;(Phenylmercapto)acetonitrile;(phenylsulfanyl)acetonitrile;2-phenylsulfanylethanenitrile;SCHEMBL1931888;DTXSID10200216;AMY25703;MFCD00019831;AKOS000216531;CS-0270226;FT-0605013;P1602;EN300-85814;D92138;A828965;Z19751391

Suppliers and Price of (Phenylthio)acetonitrile

Supply Marketing:Edit

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
(Phenylthio)acetonitrile
100mg
$ 60.00

TCI Chemical
(Phenylthio)acetonitrile >98.0%(GC)
5g
$ 52.00

SynQuest Laboratories
2-(Phenylthio)acetonitrile
10 g
$ 96.00

SynQuest Laboratories
2-(Phenylthio)acetonitrile
5 g
$ 80.00

SynQuest Laboratories
2-(Phenylthio)acetonitrile
1 g
$ 64.00

Matrix Scientific
Phenylthioacetonitrile 97%
5g
$ 41.00

Crysdot
2-(Phenylthio)acetonitrile 95+%
500g
$ 835.00

American Custom Chemicals Corporation
2-(PHENYLTHIO)ACETONITRILE 95.00%
5G
$ 795.80

Alfa Aesar
(Phenylthio)acetonitrile, 98%
100g
$ 665.00

Alfa Aesar
(Phenylthio)acetonitrile, 98%
25g
$ 188.00

Total 23 raw suppliers

Chemical Property of (Phenylthio)acetonitrile Edit

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.0101mmHg at 25°C
Refractive Index:n20/D 1.583(lit.)
Boiling Point:146-147 °C14 mm Hg(lit.)
Flash Point:146-147°C/14mm
PSA：49.09000
Density:1.142 g/mL at 25 °C(lit.)
LogP:2.30228
Water Solubility.:Not miscible or difficult to mix in water.
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:149.02992040
Heavy Atom Count:10
Complexity:129

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Phenylthio)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,T
Hazard Codes:Xn,T
Statements: 22
Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)SCC#N
Uses Applications include, electron-deficient aromatics undergo vicarious nucleophilic substitution (VNS) reactions with the anion. Thus the molecule is equivalent to an acetonitrile anion synthon with thiophenate as the leaving group. For example, in the presence of solid NaOH in DMSO, nitrobenzene gives predominantly 4-nitrophenylacetonitrile, along with some of the 2-isomer.

Technology Process of (Phenylthio)acetonitrile

There total 27 articles about (Phenylthio)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: 96.0%