S-ethyl methanesulfonothioate

Base Information

• Chemical Name: S-ethyl methanesulfonothioate
• CAS No.: 2043-76-7
• Molecular Formula: C3H8 O2 S2
• Molecular Weight: 140.22442
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40542530
• Nikkaji Number: J895.933A
• Wikidata: Q82419231
• Mol file: 2043-76-7.mol

Synonyms:2043-76-7;Ethyl Methanethiosulfonate;1-methylsulfonylsulfanylethane;S-ethyl methanesulfonothioate;Methanesulfonothioic acid, S-ethyl ester;1-methylsulfonylsulfanyl-ethane;(METHANESULFONYLSULFANYL)ETHANE;SCHEMBL3194664;DTXSID40542530;AKOS006312339;F89268;J-013319

Chemical Property of S-ethyl methanesulfonothioate

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 101°C/4 mm Hg
• Flash Point: 119.217°C
• PSA: 67.82000
• Density: 1.24g/cm³
• LogP: 1.77990
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.99657184
• Heavy Atom Count: 7
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

EthylMethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSS(=O)(=O)C
• Uses: Reacts specifically and rapidly with thiols to form mixed disulfides.

Technology Process of S-ethyl methanesulfonothioate

There total 6 articles about S-ethyl 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: 89.0%

ethyl bromide (74-96-4) + sodium methanethiosulfonate (1950-85-2) → S-ethyl methanethiosulfonate (2043-76-7)

Guidance literature:

In ethanol; at 50 ℃; for 8h;

DOI:10.1021/jo051374j

Reference yield: 60.0%

Diethyl disulfide (110-81-6) + sodium methanethiosulfonate (1950-85-2) → S-ethyl methanethiosulfonate (2043-76-7)

Guidance literature:

With iodine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2006.12.027

Reference yield: 57.0%

methanesulfonyl chloride (124-63-0) + ethanethiol (75-08-1) → S-ethyl methanethiosulfonate (2043-76-7)

Guidance literature:

With pyridine;

DOI:10.1002/cbic.200900668

upstream raw materials:

Dimethyldisulphide

ethyl bromide

sodium methanethiosulfonate

Diethyl disulfide

Downstream raw materials:

ethyl 3,4-O-(2,3-dimethoxybutane-2,3-diyl)-2-O-[2'-O-acetyl-4'-O-benzyl-3-(2'',3'',4''-tri-O-benzyl-α-L-rhamnopyranosyl)]-β-L-rhamnopyranosyl disulfide

ethyl 2-O-acetyl-4-O-benzyl-3-(2',3',4'-tri-O-benzyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl disulfide

1-ethyl-2-(p-nitrophenyl)disulfane

ethyl m-nitrophenyl disulfide

Refernces

• 1、 Revell, Kevin D.,Heldreth, Bart,Long, Timothy E.,Jang, Seyoung,Turos, Edward. "N-thiolated β-lactams: Studies on the mode of action and identification of a primary cellular target in Staphylococcus aureus". . p. 2453 - 2467. Retrieved 2007.
• 2、 Bentley et al.. "". . p. 333. Retrieved 1972.
• 3、 Grayson, Elizabeth J.,Ward, Sarah J.,Hall, Alison L.,Rendle, Phillip M.,Gamblin, David P.,Batsanov, Andrei S.,Davis, Benjamin G.. "Glycosyl disulfides: Novel glycosylating reagents with flexible aglycon alteration". . p. 9740 - 9754. Retrieved 2007/10/03.