1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]benzene

Base Information

Chemical Name:1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]benzene
CAS No.:108288-41-1
Molecular Formula:C₁₅H₁₃NO₂S₂
Molecular Weight:303.406
Hs Code.:
DSSTox Substance ID:DTXSID401185368

Synonyms:1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]benzene;DTXSID401185368;108288-41-1

Suppliers and Price of 1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]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-2-[[(4-methylphenyl)sulfonyl]methyl]benzene

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:303.03877100
Heavy Atom Count:20
Complexity:455

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2N=C=S

Technology Process of 1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]benzene

There total 2 articles about 1-Isothiocyanato-2-[[(4-methylphenyl)sulfonyl]methyl]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: 89.0%

: 108288-40-0
2-(bromomethyl)phenyl isothiocyanate

: 824-79-3
sodium 4-methylbenzenesulfinate

: 108288-41-1
2-(p-tolylsulfonylmethyl)phenyl isothiocyanate

Guidance literature:: In N,N-dimethyl-formamide; for 0.166667h;

Reference yield:

: 614-69-7
2-tolyl isothiocyanate

: 108288-41-1
2-(p-tolylsulfonylmethyl)phenyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 56 percent / N-bromosuccinimide, dibenzoyl peroxide / CCl₄ / 1.5 h / Heating

2: 89 percent / dimethylformamide / 0.17 h

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide;