Mercaptomethyl radical

Base Information

• Chemical Name: Mercaptomethyl radical
• CAS No.: 17032-46-1
• Molecular Formula: CH3 S
• Molecular Weight: 47.1008
• DSSTox Substance ID: DTXSID10168842
• Nikkaji Number: J1.045.070E
• Mol file: 17032-46-1.mol

Synonyms:Mercaptomethyl radical;17032-46-1;DTXSID10168842

Chemical Property of Mercaptomethyl radical

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 46.99554627
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH2]S

Technology Process of Mercaptomethyl radical

There total 2 articles about Mercaptomethyl radical 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:

ethyl trifluoroacetate, (383-63-1) + CH2S(1-) (71928-47-7) → ethyl radical (2025-56-1) + ethene (74-85-1) + thioformaldehyde (865-36-1,30699-99-1) + methyl thiyl (17032-46-1) + trifluoroacetate (14477-72-6)

Guidance literature:

Product distribution; Thermodynamic data; reaction enthalpy;

Reference yield:

methylthiol (74-93-1) + carbon nitride (2074-87-5) → hydrogen cyanide (74-90-8) + methyl thiyl (17032-46-1) + methylthio radical (7175-75-9) + iminocarbene (6914-07-4)

Guidance literature:

In gas; reaction carried out in a transverse flow reactor consisted of a stainless steel vacuum-tight vessel containing Teflon box; detected by infrared transient absorption spectroscopy; Kinetics;

DOI:10.1021/jp0108061

Reference yield:

methyl thiyl (17032-46-1) + Nitrogen dioxide (10102-44-0) → cis-nitrous acid (7782-77-6)

Guidance literature:

byproducts: CH2S; Irradiation (UV/VIS); methyl thiyl radicals, produced by laser photolysis of dimethyl disulfide (266 nm), react with NO2; pressure 1-400 mTorr (CH3S)2, 0-35 mTorr NO2, 1-400 Torr buffer gas N2 or SF6; temp. 25-238 °C; studied by fluorescence (laser excitation 371.77nm); Kinetics;

DOI:10.1016/0301-0104(86)80188-4

upstream raw materials:

ethyl trifluoroacetate,

CH₂S^(1-)

methylthiol

carbon nitride

Downstream raw materials:

methyl thionitrate

nitrogen(II) oxide

cis-nitrous acid

Refernces

• 1、 Staneke, Paul O.,Ingemann, Steen,Nibbering, Nico M. M.. "Electron transfer as a possible initial step in nucleophilic addition elimination reactions between (radical) anions and carbonyl compounds in the gas phase". . p. 179 - 184. Retrieved 2007/10/03.