1-Isothiocyanato-7-(methylsulfinyl)heptane

Base Information

Chemical Name:1-Isothiocyanato-7-(methylsulfinyl)heptane
CAS No.:129244-98-0
Molecular Formula:C₉H₁₇NOS₂
Molecular Weight:219.372
Hs Code.:
DSSTox Substance ID:DTXSID60431578
Nikkaji Number:J2.379.572H,J385.661E
Wikidata:Q82245496
Metabolomics Workbench ID:48198
Mol file:129244-98-0.mol

Synonyms:7-methylsulfinylheptyl isothiocyanate;7-MITC

Suppliers and Price of 1-Isothiocyanato-7-(methylsulfinyl)heptane

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
7-MethylsulfinylheptylIsothiocyanate
50mg
$ 730.00

Total 3 raw suppliers

Chemical Property of 1-Isothiocyanato-7-(methylsulfinyl)heptane

Chemical Property:

PSA：80.73000
LogP:3.28390
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:219.07515651
Heavy Atom Count:13
Complexity:188

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

7-MethylsulfinylheptylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)CCCCCCCN=C=S
Uses 7-Methylsulfinylheptyl isothiocyanate is found in wasabi (Wasabi japonica) root, as well as in watercress. It is a potent inducer of phase II enzymes, which are associated with enhanced excretion of carcinogens, and was discovered as an inhibitor of glycogen synthase kinase-3β.

Technology Process of 1-Isothiocyanato-7-(methylsulfinyl)heptane

There total 1 articles about 1-Isothiocyanato-7-(methylsulfinyl)heptane 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: