1-Isothiocyanato-4-(methanesulfinyl)benzene

Base Information

Chemical Name:1-Isothiocyanato-4-(methanesulfinyl)benzene
CAS No.:109335-70-8
Molecular Formula:C₈H₇NOS₂
Molecular Weight:197.282
Hs Code.:
DSSTox Substance ID:DTXSID00553021
Nikkaji Number:J2.770.281C
Mol file:109335-70-8.mol

Synonyms:109335-70-8;1-Isothiocyanato-4-(methanesulfinyl)benzene;DTXSID00553021

Suppliers and Price of 1-Isothiocyanato-4-(methanesulfinyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Isothiocyanato-4-(methanesulfinyl)benzene

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:196.99690619
Heavy Atom Count:12
Complexity:215

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-Isothiocyanato-4-(methanesulfinyl)benzene

There total 1 articles about 1-Isothiocyanato-4-(methanesulfinyl)benzene 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: 100.0%

: 15863-41-9
1-isothiocyanato-4-(methylthio)benzene

: 109335-70-8
1-isothiocyanato-4-(methylsulfinyl)benzene

Guidance literature:: With ferric(III) bromide; nitric acid; In acetonitrile; at 20 ℃; for 2.5h; chemoselective reaction;
DOI:10.1039/b815986f

Reference yield:

: 109335-70-8
1-isothiocyanato-4-(methylsulfinyl)benzene

: 87023-24-3
1-(4-Methanesulfinyl-phenyl)-2-methyl-3-[3-(2,3,5,6-tetrahydro-imidazo[2,1-b]thiazol-6-yl)-phenyl]-isothiourea

Guidance literature:: Multi-step reaction with 2 steps

1: acetone / Ambient temperature

2: 1.) aq. NaOH / 1.) acetone, RT, 1 h, 2.) acetone, 2 h

With sodium hydroxide; In acetone;
DOI:10.1021/jm00393a028