S-Phenyl 2-methylpropane-2-sulfinothioate

Base Information

• Chemical Name: S-Phenyl 2-methylpropane-2-sulfinothioate
• CAS No.: 89523-59-1
• Molecular Formula: C10H14OS2
• Molecular Weight: 214.353
• DSSTox Substance ID: DTXSID70525578
• Mol file: 89523-59-1.mol

Synonyms:89523-59-1;S-Phenyl 2-methylpropane-2-sulfinothioate;DTXSID70525578

Chemical Property of S-Phenyl 2-methylpropane-2-sulfinothioate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.04860741
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of S-Phenyl 2-methylpropane-2-sulfinothioate

There total 5 articles about S-Phenyl 2-methylpropane-2-sulfinothioate 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: 93.0%

tert-butylsulfinyl chloride (31562-43-3) + tributyltin phenyl sulfide (17314-33-9) → S-phenyl 2-methylpropane-2-sulfinothioate (89523-59-1)

Guidance literature:

In chloroform; at -10 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)88389-6

Reference yield: 77.0%

tert-butylsulfinyl chloride (31562-43-3) + thiophenol (108-98-5) → S-phenyl 2-methylpropane-2-sulfinothioate (89523-59-1)

Guidance literature:

tert-butylsulfinyl chloride; With pyridine; In tetrachloromethane; at -20 ℃; for 0.166667h; Inert atmosphere;

thiophenol; In tetrachloromethane; at -20 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1039/c4cc05462h

Reference yield:

1-(tert-butyl)-2-phenyldisulfane (2943-20-6) → S-tert-butyl benzenesulfinothioate (63752-74-9) + S-phenyl 2-methylpropane-2-sulfinothioate (89523-59-1)

Guidance literature:

With 3H-2,1-benzoxaselenole Se-oxide; dihydrogen peroxide; In methanol; dichloromethane; at 20 ℃; for 4h; Overall yield = 63 %;

DOI:10.3390/molecules200610748

upstream raw materials:

tert-butylsulfinyl chloride

tributyltin phenyl sulfide

methoxy-phenyl-sulfane

2-methyl-2-propanesulfenic acid