1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one

Base Information

Chemical Name:1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one
CAS No.:56944-66-2
Molecular Formula:C12H14OS2
Molecular Weight:238.375
Hs Code.:
DSSTox Substance ID:DTXSID70491901

Synonyms:56944-66-2;1-(2-METHYLPHENYL)-3,3-BIS(METHYLSULFANYL)PROP-2-EN-1-ONE;3,3-BIS-METHYLSULFANYL-1-O-TOLYL-PROPENONE;SCHEMBL6218684;DTXSID70491901;AKOS033199378;CS-0262996;EN300-84636;Z1251333062

Suppliers and Price of 1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one

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

American Custom Chemicals Corporation
3,3-BIS-METHYLSULFANYL-1-ORTHO-TOLYL-PROPENONE 95.00%
5MG
$ 501.56

Total 4 raw suppliers

Chemical Property of 1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one

Chemical Property:

Vapor Pressure:1.97E-05mmHg at 25°C
Melting Point:94 °C(Solv: ligroine (8032-32-4))
Refractive Index:1.596
Boiling Point:362.2°C at 760 mmHg
Flash Point:153.3°C
PSA：67.67000
Density:1.145g/cm³
LogP:3.74510
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:238.04860741
Heavy Atom Count:15
Complexity:242

Purity/Quality:

97% ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-ORTHO-TOLYL-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1C(=O)C=C(SC)SC

Technology Process of 1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one

There total 3 articles about 1-(2-Methylphenyl)-3,3-bis(methylsulfanyl)prop-2-EN-1-one 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: 64.0%

: 75-15-0,12122-00-8
carbon disulfide

: 577-16-2,122382-54-1
2-Methylacetophenone

: 74-88-4
methyl iodide

: 56944-66-2
3,3-bis(methylthio)-1-(o-tolyl)prop-2-en-1-one

Guidance literature:: 2-Methylacetophenone; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.333333h;

carbon disulfide; In tetrahydrofuran; at 0 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; for 3h;
DOI:10.1021/acs.joc.5b00521

Reference yield:

: 75-15-0,12122-00-8
carbon disulfide

: 77-78-1
dimethyl sulfate

: 577-16-2,122382-54-1
2-Methylacetophenone

: 56944-66-2
3,3-bis(methylthio)-1-(o-tolyl)prop-2-en-1-one

Guidance literature:: 2-Methylacetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

carbon disulfide; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

dimethyl sulfate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;
DOI:10.1039/c4ob01300j