2-Oxopropyl thiocyanate

Base Information Edit

Chemical Name:2-Oxopropyl thiocyanate
CAS No.:3029-48-9
Molecular Formula:C4H5 N O S
Molecular Weight:115.156
Hs Code.:2930909090
European Community (EC) Number:819-657-7
DSSTox Substance ID:DTXSID00500499
Nikkaji Number:J1.903.281G
Wikidata:Q82352140
Mol file:3029-48-9.mol

Synonyms:2-Oxopropyl thiocyanate;3029-48-9;1-(cyanosulfanyl)propan-2-one;Thiocyanic acid, 2-oxopropyl ester;thiocyano-acetone;SCHEMBL1349370;DTXSID00500499;AKOS022504420;CS-0239749;EN300-218466

Suppliers and Price of 2-Oxopropyl thiocyanate

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

A2B
Thiocyanicacid,2-oxopropylester 95%
1g
$ 286.00

Total 2 raw suppliers

Chemical Property of 2-Oxopropyl thiocyanate Edit

Chemical Property:

Boiling Point:70-73 °C(Press: 1 Torr)
PSA：66.16000
Density:1.1892 g/cm3(Temp: 15 °C)
LogP:0.78968
XLogP3:0.7
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:

95% ^*data from raw suppliers

Thiocyanicacid,2-oxopropylester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CSC#N

Technology Process of 2-Oxopropyl thiocyanate

There total 11 articles about 2-Oxopropyl thiocyanate 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%

: 540-72-7
sodium thiocyanide

: 78-95-5
chloroacetone

: 3029-48-9
thiocyanoacetone

Guidance literature:: In ethanol; at 23 ℃; for 60h;

Reference yield: 40.0%

: 7677-24-9
trimethylsilyl cyanide

: 67-64-1
acetone

: 3029-48-9
thiocyanoacetone

Guidance literature:: With sulfur; In dimethyl sulfoxide; at 70 ℃; for 12h; regioselective reaction; Schlenk technique; Sealed tube;
DOI:10.1021/acs.joc.1c02431