Benzyl methanethiosulfonate

Base Information

• Chemical Name: Benzyl methanethiosulfonate
• CAS No.: 7559-62-8
• Molecular Formula: C8H10O2S2
• Molecular Weight: 202.298
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID30703072
• Mol file: 7559-62-8.mol

Synonyms:benzyl methanethiosulfonate;benzyl-MTS

Chemical Property of Benzyl methanethiosulfonate

Chemical Property:

• Vapor Pressure: 1.65E-05mmHg at 25°C
• Melting Point: 37-39oC
• Boiling Point: 375.7oC at 760 mmHg
• Flash Point: 181oC
• PSA: 67.82000
• Density: 1.286g/cm3
• LogP: 2.96020
• Storage Temp.: -20°C Freezer
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.01222190
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

98%Min ^*data from raw suppliers

BenzylMethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=S)OCC1=CC=CC=C1
• Uses: Benzyl Methanethiosulfonate 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 Benzyl methanethiosulfonate

There total 4 articles about Benzyl 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: 61.0%

benzyl bromide (100-39-0) + sodium methanethiosulfonate (1950-85-2) → S-benzyl methanethiosulfonate (7559-62-8)

Guidance literature:

In methanol; for 2.5h; Heating;

DOI:10.1021/jo00237a031

Reference yield: 18.0%

dibenzyl disulphide (150-60-7) + methanesulfinyl trifluoroacetate (73682-71-0) → benzyl trifluoroacetate (351-70-2) + S-benzyl methanethiosulfonate (7559-62-8) + S-benzyl phenyl-methanethiosulfonate (16601-40-4)

Guidance literature:

In tetrachloromethane; Ambient temperature;

DOI:10.1016/S0040-4020(01)98843-X

Reference yield:

benzyl bromide (100-39-0) + potassium methanethiosulphonate (6340-98-3) → S-benzyl methanethiosulfonate (7559-62-8)

Guidance literature:

In water; acetone; Heating;

DOI:10.1021/jm00335a028

upstream raw materials:

sodium methansulfinate

C₈H₁₀N₂S₂*ClH

benzyl bromide

potassium methanethiosulphonate

Downstream raw materials:

1-Benzyldisulfanyl-2-propylsulfanylmethyl-benzene

1-Allylsulfanylmethyl-2-benzyldisulfanyl-benzene

1-benzyl-2-(2-((benzylthio)methyl)phenyl)disulfane

18-(2-Benzylsulfanyl-benzylsulfanylmethyl)-1,4,7,10,13,16-hexaoxa-cyclononadecane