4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide

Base Information

• Chemical Name: 4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide
• CAS No.: 55423-98-8
• Molecular Formula: C13H13NO2S2
• Molecular Weight: 279.384
• DSSTox Substance ID: DTXSID30599598
• Nikkaji Number: J1.885.383C
• Wikidata: Q82495502
• Mol file: 55423-98-8.mol

Synonyms:55423-98-8;4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide;SCHEMBL2068110;DTXSID30599598

Chemical Property of 4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.03877100
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2S

Technology Process of 4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide

There total 5 articles about 4-Methyl-N-(2-sulfanylphenyl)benzene-1-sulfonamide 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: 98.0%

2-amino-benzenethiol (137-07-5) + p-toluenesulfonyl chloride (98-59-9) → N-(2-mercaptophenyl)-4-methylbenzenesulfonamide (55423-98-8)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

Reference yield:

N,N'-(disulfanediylbis(2,1-phenylene))bis(4-methylbenzenesulfonamide) (3982-42-1) → N-(2-mercaptophenyl)-4-methylbenzenesulfonamide (55423-98-8)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/jacs.5b02537

Reference yield:

dithiodianiline (106950-44-1) → N-(2-mercaptophenyl)-4-methylbenzenesulfonamide (55423-98-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 72 h / 20 °C

2: water; triphenylphosphine / tetrahydrofuran

With pyridine; water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/jacs.5b02537

upstream raw materials:

N,N'-(disulfanediylbis(2,1-phenylene))bis(4-methylbenzenesulfonamide)

dithiodianiline

p-toluenesulfonyl chloride

2-amino-benzenethiol

Downstream raw materials:

ethyl 2-(2-methyl-3-tosyl-2,3-dihydrobenzo[d]thiazol-2-yl)acetate

(R)-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one