S-(4-Chlorophenyl) methanesulfonothioate

Base Information

• Chemical Name: S-(4-Chlorophenyl) methanesulfonothioate
• CAS No.: 1200-28-8
• Molecular Formula: C7H7 Cl O2 S2
• Molecular Weight: 222.71
• Hs Code.: 2930909090
• NSC Number: 40484
• UNII: 5H5JZG4MR6
• DSSTox Substance ID: DTXSID80152652
• Nikkaji Number: J3.023.689K
• Wikidata: Q83019352
• ChEMBL ID: CHEMBL2007152
• Mol file: 1200-28-8.mol

Synonyms:S-(4-Chlorophenyl) methanesulfonothioate;1200-28-8;1-chloro-4-methylsulfonylsulfanylbenzene;NSC40484;5H5JZG4MR6;NSC 40484;NSC-40484;UNII-5H5JZG4MR6;CHEMBL2007152;DTXSID80152652;1-chloro-4-methylsulfonylsulfanyl-benzene;NCI60_003826;Methanethiosulfonic acid S-(4-chlorophenyl) ester;Methanesulfonothioic acid, S-(4-chlorophenyl) ester

Chemical Property of S-(4-Chlorophenyl) methanesulfonothioate

Chemical Property:

• Boiling Point: 350.7±44.0 °C(Predicted)
• PSA: 67.82000
• Density: 1.46±0.1 g/cm3(Predicted)
• LogP: 3.47250
• XLogP3: 2.2
• 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:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)SC1=CC=C(C=C1)Cl

Technology Process of S-(4-Chlorophenyl) methanesulfonothioate

There total 6 articles about S-(4-Chlorophenyl) methanesulfonothioate 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: 76.0%

methanesulfonyl chloride (124-63-0) + 4-chlorobenzenesulfonyl chloride (98-60-2) → S-(4-chlorophenyl) methanesulfonothioate (1200-28-8)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In acetone; acetonitrile; at 20 ℃; for 20h; chemoselective reaction;

DOI:10.1002/adsc.201600633

Reference yield: 75.0%

N-hydroxylmethanesulfonamide (50695-55-1) + p-Chlorothiophenol (106-54-7) → S-(4-chlorophenyl) methanesulfonothioate (1200-28-8)

Guidance literature:

With iodine; potassium carbonate; In ethanol; at 60 ℃; for 6h; Green chemistry;

DOI:10.1039/d1ob00036e

Reference yield: 61.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + sodium methansulfinate (20277-69-4) → S-(4-chlorophenyl) methanesulfonothioate (1200-28-8)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 25 ℃; for 15h;

DOI:10.1002/cjoc.201200028

upstream raw materials:

potassium methanethiosulphonate

4-chloro-benzenesulfenyl chloride

dimethyl sulfoxide

p-Chlorothiophenol

Downstream raw materials:

ethyl 3-{[(4-chlorophenyl)thio]methyl}benzoate

Refernces

• 1、 Mampuys, Pieter,Zhu, Yanping,Sergeyev, Sergey,Ruijter, Eelco,Orru, Romano V. A.,Van Doorslaer, Sabine,Maes, Bert U. W.. "Iodide-Catalyzed Synthesis of Secondary Thiocarbamates from Isocyanides and Thiosulfonates". supporting information. p. 2808 - 2811. Retrieved 2016/07/06.
• 2、 Mampuys, Pieter,Zhu, Yanping,Vlaar, Tj?stil,Ruijter, Eelco,Orru, Romano V. A.,Maes, Bert U. W.. "Sustainable three-component synthesis of isothioureas from isocyanides, thiosulfonates, and amines". supporting information. p. 12849 - 12854. Retrieved 2016/02/18.