Cyanomethyl ethanethioate

Base Information

Chemical Name:Cyanomethyl ethanethioate
CAS No.:59463-56-8
Molecular Formula:C4H5NOS
Molecular Weight:115.156
Hs Code.:2930909090
DSSTox Substance ID:DTXSID70380604
Wikidata:Q82170912
Mol file:59463-56-8.mol

Synonyms:cyanomethyl ethanethioate;59463-56-8;S-(cyanomethyl) ethanethioate;CYANOMETHYLETHANETHIOATE;2-(acetylsulfanyl)acetonitrile;thioacetic acid S-cyanomethyl ester;O-cyanomethyl ethanethioate;S-cyanomethyl ethanethioate;SCHEMBL259228;DTXSID70380604;XMDLKUYYOPPWRL-UHFFFAOYSA-N;MFCD00173920;AKOS006228230;AS-83067;CS-0110092;FT-0624139;A22550;W15790;EN300-7465957

Suppliers and Price of Cyanomethyl ethanethioate

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
Cyanomethylethanethioate
50mg
$ 110.00

SynQuest Laboratories
Cyanomethyl ethanethioate 95%
250 mg
$ 192.00

SynQuest Laboratories
Cyanomethyl ethanethioate 95%
1 g
$ 320.00

Matrix Scientific
Cyanomethyl ethanethioate 97%
5g
$ 805.00

Matrix Scientific
Cyanomethyl ethanethioate 97%
1g
$ 220.00

Atlantic Research Chemicals
Cyanomethylethanethioate 95%
1gm:
$ 180.26

Apolloscientific
S-(Cyanomethyl)thioacetate 95%
250mg
$ 174.00

Apolloscientific
S-(Cyanomethyl)thioacetate 95%
1g
$ 290.00

American Custom Chemicals Corporation
CYANOMETHYL ETHANETHIOATE 95.00%
10G
$ 1788.81

AK Scientific
Cyanomethylethanethioate
1g
$ 347.00

Total 18 raw suppliers

Chemical Property of Cyanomethyl ethanethioate

Chemical Property:

Vapor Pressure:0.367mmHg at 25°C
Melting Point:226-227 °C
Refractive Index:n20/D 1.495(lit.)
Boiling Point:198.1 °C at 760 mmHg
Flash Point:73.6 °C
PSA：66.16000
Density:1.162 g/cm³
LogP:0.78968
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:115.00918496
Heavy Atom Count:7
Complexity:112

Purity/Quality:

99%, ^*data from raw suppliers

Cyanomethylethanethioate ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes: Xn:Harmful;
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)SCC#N

Technology Process of Cyanomethyl ethanethioate

There total 3 articles about Cyanomethyl ethanethioate 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: 90.0%

: 107-14-2
chloroacetonitrile

: 507-09-5
tiolacetic acid

: 59463-56-8
thioacetic acid S-cyanomethyl ester

Guidance literature:: With triethylamine; In dichloromethane; -30 deg C, then slowly warming up to room temperature;
DOI:10.1016/S0040-4020(01)80958-3