4-Chloro-5-methyl-2-sulfanylbenzene-1-sulfonamide

Base Information

• Chemical Name: 4-Chloro-5-methyl-2-sulfanylbenzene-1-sulfonamide
• CAS No.: 95792-62-4
• Molecular Formula: C7H8ClNO2S2
• Molecular Weight: 237.731
• DSSTox Substance ID: DTXSID40537204
• Nikkaji Number: J2.256.245B
• Wikidata: Q82412130

Synonyms:95792-62-4;4-Chloro-5-methyl-2-sulfanylbenzene-1-sulfonamide;DTXSID40537204

Chemical Property of 4-Chloro-5-methyl-2-sulfanylbenzene-1-sulfonamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 236.9684985
• Heavy Atom Count: 13
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N

Technology Process of 4-Chloro-5-methyl-2-sulfanylbenzene-1-sulfonamide

There total 1 articles about 4-Chloro-5-methyl-2-sulfanylbenzene-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: 11.9%

6-chloro-3-hydroxy-7-methyl-1,4,2-benzo-dithiazine 1,1-dioxide (107466-31-9) + tert-butyl alcohol (75-65-0) → 4-chloro-2-mercapto-5-methyl-benzenesulfonamide (95792-62-4) + N-(4-chloro-2-merkapto-5-metylobenzenosulfonylo)karbaminian tert-butylowy

Guidance literature:

for 72h; Ambient temperature;

Reference yield: 82.0%

4-chloro-2-mercapto-5-methyl-benzenesulfonamide (95792-62-4) + C14H12BrN3O2 → C21H19ClN4O4S2

Guidance literature:

With triethylamine; In dichloromethane; for 7.5h; Heating;

DOI:10.1016/j.ejmech.2003.09.013

Reference yield: 81.0%

3'-nitro-2-bromoacetophenone (2227-64-7) + 4-chloro-2-mercapto-5-methyl-benzenesulfonamide (95792-62-4) → 4-chloro-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-5-methylbenzenesulfonamide

Guidance literature:

With triethylamine; In dichloromethane; for 6h; Heating;

DOI:10.1016/j.bmc.2004.04.024

upstream raw materials:

6-chloro-3-hydroxy-7-methyl-1,4,2-benzo-dithiazine 1,1-dioxide

tert-butyl alcohol

Downstream raw materials:

(5-chloro-4-methyl-2-sulfamoyl-phenylsulfanyl)-phenyl-acetic acid

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