4-(Methylthio)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(Methylthio)benzenesulfonyl chloride
• CAS No.: 1129-25-5
• Molecular Formula: C7H7ClO2S2
• Molecular Weight: 222.716
• Hs Code.: 2930909090
• European Community (EC) Number: 886-641-4
• DSSTox Substance ID: DTXSID20456641
• Nikkaji Number: J1.090.762D
• Wikidata: Q72491351
• Mol file: 1129-25-5.mol

Synonyms:1129-25-5;4-(Methylthio)benzenesulfonyl chloride;4-(Methylthio)benzene-1-sulfonyl chloride;4-methylsulfanylbenzenesulfonyl Chloride;4-methylsulfanyl-benzenesulfonyl chloride;4-(methylsulfanyl)benzenesulfonyl chloride;4-(methylsulfanyl)benzene-1-sulfonyl chloride;4-(methylthio)benzenesulfonyl chloride(SALTDATA: FREE);SCHEMBL2035701;DTXSID20456641;4methylthiobenzenesulfonyl chloride;ZCCHKGQZUSPUGJ-UHFFFAOYSA-N;4-methylthiobenzenesulfonyl chloride;BBL020149;MFCD08752808;STK885532;4-methylthio-benzenesulphonyl chloride;AKOS000431117;AM90673;4-(Methylthio)benzene-1-sulfonylchloride;4-methylsulphanylbenzenesulphonyl chloride;LS-09228;4-(Methylthio)benzenesulfonic acid chloride;BB 0219949;FT-0688703;EN300-60361;4-(methylthio)benzenesulfonyl chloride, AldrichCPR;A894508

Chemical Property of 4-(Methylthio)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 44-45℃
• Boiling Point: 321.009oC at 760 mmHg
• Flash Point: 147.941oC
• PSA: 67.82000
• Density: 1.469g/cm3
• LogP: 3.41680
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.9575995
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylthio)benzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of 4-(Methylthio)benzenesulfonyl chloride

There total 3 articles about 4-(Methylthio)benzenesulfonyl chloride 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: 55.77%

methyl-phenyl-thioether (100-68-5) → 4-(methylsulfanyl)benzenesulfonyl chloride (1129-25-5)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 0 ℃; for 3h;

Reference yield:

Sodium; 4-methylsulfanyl-benzenesulfonate → 4-(methylsulfanyl)benzenesulfonyl chloride (1129-25-5)

Guidance literature:

With trichlorophosphate; Yield given; Heating;

DOI:10.1021/j100123a025

Reference yield:

→ 4-(methylsulfanyl)benzenesulfonyl chloride (1129-25-5)

Guidance literature:

Bis-<4-sulfo-phenyl>-disulfid, 1.) Zn, Eg., 2.) (CH3)2SO4, 3.) PCl5;

upstream raw materials:

methyl-phenyl-thioether

Downstream raw materials:

4-methylsulfinylbenzenesulfonyl chloride

4-methylsulfanyl-thiophenol

1,2-bis[4-(methylthio)phenyl]disulfane

1-tert-Butoxycarbonyl-4-{ethyl[4-(methylsulfanyl)phenylsulfonyl]amino}piperidine