3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-EN-1-one

Base Information

Chemical Name:3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-EN-1-one
CAS No.:139057-17-3
Molecular Formula:C11H11NO3S2
Molecular Weight:270.34788
Hs Code.:
DSSTox Substance ID:DTXSID60577344
Nikkaji Number:J433.820K
Mol file:139057-17-3.mol

Synonyms:139057-17-3;3,3-BIS(METHYLSULFANYL)-1-(3-NITROPHENYL)PROP-2-EN-1-ONE;3,3-BIS-METHYLSULFANYL-1-(3-NITRO-PHENYL)-PROPENONE;SCHEMBL24934304;DTXSID60577344

Suppliers and Price of 3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)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-(3-NITRO-PHENYL)-PROPENONE 95.00%
5MG
$ 497.39

Total 2 raw suppliers

Chemical Property of 3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-EN-1-one

Chemical Property:

PSA：113.49000
LogP:3.86810
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:269.01803556
Heavy Atom Count:17
Complexity:319

Purity/Quality:

99% ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-(3-NITRO-PHENYL)-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC(=CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])SC

Technology Process of 3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-EN-1-one

There total 1 articles about 3,3-Bis(methylsulfanyl)-1-(3-nitrophenyl)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: 84.0%

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

: 121-89-1
3-Nitroacetophenone

: 74-88-4
methyl iodide

: 139057-17-3
3,3-bis(methylthio)-1-(m-nitrophenyl)-2-propen-1-one

Guidance literature:: With sodium hydride; In tetrahydrofuran;
DOI:10.1246/bcsj.64.3727

Reference yield:

: 139057-17-3
3,3-bis(methylthio)-1-(m-nitrophenyl)-2-propen-1-one

: 56-40-6,18875-39-3,25718-94-9
glycine

: 139057-22-0
[(Z)-1-Methylsulfanyl-3-(3-nitro-phenyl)-3-oxo-propenylamino]-acetic acid

Guidance literature:: With sodium hydroxide; Yield given. Multistep reaction; 1.) ethanol, water, reflux, 1 h, 2.) ethanol, water, reflux, 20 h;
DOI:10.1246/bcsj.64.3727