3-Cyanobenzoyl isothiocyanate

Base Information

Chemical Name:3-Cyanobenzoyl isothiocyanate
CAS No.:100663-26-1
Molecular Formula:C₉H₄N₂OS
Molecular Weight:188.21
Hs Code.:
European Community (EC) Number:862-550-5
DSSTox Substance ID:DTXSID60656103
Mol file:100663-26-1.mol

Synonyms:3-cyanobenzoyl isothiocyanate;100663-26-1;3-cyanobenzoylisothiocyanate;SCHEMBL1467416;DTXSID60656103;OVKTYQBGGSXELC-UHFFFAOYSA-N;EN300-68854

Suppliers and Price of 3-Cyanobenzoyl isothiocyanate

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

Total 1 raw suppliers

Chemical Property of 3-Cyanobenzoyl isothiocyanate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.00443393
Heavy Atom Count:13
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)N=C=S)C#N

Technology Process of 3-Cyanobenzoyl isothiocyanate

There total 4 articles about 3-Cyanobenzoyl isothiocyanate 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: 78.0%