S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate

Base Information

• Chemical Name: S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate
• CAS No.: 66202-82-2
• Molecular Formula: C9H10O4S2
• Molecular Weight: 246.308
• DSSTox Substance ID: DTXSID30605941
• Wikidata: Q82504411
• Mol file: 66202-82-2.mol

Synonyms:66202-82-2;S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate;SCHEMBL11615831;DTXSID30605941;JKDFORCFNQKHLN-UHFFFAOYSA-N;S-[4-(methanesulfonyloxy)phenyl] thioacetate

Chemical Property of S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 246.00205114
• Heavy Atom Count: 15
• Complexity: 310

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate

There total 2 articles about S-{4-[(Methanesulfonyl)oxy]phenyl} ethanethioate 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:

methanesulfonyloxyphenyl thioacetate + methanesulfonyl chloride (124-63-0) → S-(4-(methanesulfonyloxy)phenyl] thioacetate (66202-82-2)

Guidance literature:

With triethylamine; In toluene; acetonitrile;

Reference yield:

→ S-(4-(methanesulfonyloxy)phenyl] thioacetate (66202-82-2)

Guidance literature:

CH3SO2Cl, p-CH3COS-C6H4-OH;

Reference yield:

S-(4-(methanesulfonyloxy)phenyl] thioacetate (66202-82-2) + thiophenol (108-98-5) → methanesulfonic acid 4-mercaptophenyl ester (62262-84-4)

Guidance literature:

With hydrogenchloride; In methanol; chloroform;

upstream raw materials:

methanesulfonyl chloride

Downstream raw materials:

methanesulfonic acid 4-mercaptophenyl ester