S-Hexadecyl methanethiosulfonate

Base Information

• Chemical Name: S-Hexadecyl methanethiosulfonate
• CAS No.: 7559-47-9
• Molecular Formula: C₁₇H₃₆O₂S₂
• Molecular Weight: 336.604
• NSC Number: 124764
• DSSTox Substance ID: DTXSID20997024
• Nikkaji Number: J41.681I
• Wikidata: Q82988969
• ChEMBL ID: CHEMBL1970837
• Mol file: 7559-47-9.mol

Synonyms:7559-47-9;S-Hexadecyl methanethiosulfonate;1-methylsulfonylsulfanylhexadecane;NSC 124764;Methanesulfonic acid, thio-, S-hexadecyl ester;NSC124764;BRN 1912441;SCHEMBL5464692;CHEMBL1970837;DTXSID20997024;Methanesulfonic acid, S-hexadecyl ester;NSC-124764;NCI60_000577;FT-0669164

Chemical Property of S-Hexadecyl methanethiosulfonate

Chemical Property:

• Vapor Pressure: 3.75E-08mmHg at 25°C
• Melting Point: 61-63oC
• Boiling Point: 458.4°Cat760mmHg
• Flash Point: 231°C
• PSA: 67.82000
• Density: 0.978g/cm³
• LogP: 7.24130
• Storage Temp.: -20?C Freezer, Under Inert Atmosphere
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 336.21567273
• Heavy Atom Count: 21
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

HexadecylMethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCSS(=O)(=O)C
• Uses: Reacts specifically and rapidly with thiols to form mixed disulfides. Hexadecyl Methanethiosulfonate can also been used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease. Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

Technology Process of S-Hexadecyl methanethiosulfonate

There total 2 articles about S-Hexadecyl methanethiosulfonate 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: 77.2%

sodium methansulfinate (20277-69-4) + hexadecanyl bromide (112-82-3) → S-hexadecyl methanethiosulfonate (7559-47-9)

Guidance literature:

sodium methansulfinate; With sulfur;

hexadecanyl bromide; In N,N-dimethyl-formamide; at 40 ℃;

DOI:10.1021/ma1005759

Reference yield:

potassium methanethiosulphonate (6340-98-3) + hexadecanyl bromide (112-82-3) → S-hexadecyl methanethiosulfonate (7559-47-9)

Guidance literature:

In water; acetone; Heating;

DOI:10.1021/jm00335a028

upstream raw materials:

potassium methanethiosulphonate

hexadecanyl bromide

sodium methansulfinate