52196-65-3

Basic information

• Product Name: 2-Butanone, 1,1'-thiobis[3,3-dimethyl-
• CAS NO: 52196-65-3
• Molecular Formula: C12H22O2S
• Mol File: 52196-65-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-Butanone, 1,1'-thiobis[3,3-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butanone, 1,1'-thiobis[3,3-dimethyl-(52196-65-3)
• EPA Substance Registry System: 2-Butanone, 1,1'-thiobis[3,3-dimethyl-(52196-65-3)

Safety Data

• Hazardous Substances Data: 52196-65-3(Hazardous Substances Data)

Upstream product

• 581776-45-6 (3aR,6aS)-3a,6a-di(tert-butyl)tetrahydrothienol[3,4-d][1,3,2]dioxathiolate 
• 581776-38-7 (3aR,6aS)-3a,6a-di(tert-butyl)tetrahydrothieno[3,4-d][1,3,2]dioxathiolate 2-sulfide 

Downstream Products

• 22808-03-3 3,4-di-tert-butylthiophene 
• 33369-81-2 2,4-di(tert-butyl)thiophene 

Relevant articles and documents

The thiosulfinyl group serves as a stereogenic center and shows diamagnetic anisotropy similar to that of the sulfinyl group

The pseudotetrahedral geometry of the thiosulfinyl group (>SS) in the thionosulfite which was prepared by treatment of cis-3,4-di-tert-butylthiolane-3,4-diol with 1,1'-thiobisbenzimidazole is stable enough to allow the isolation of two diastereomers. X-ray crystallographic analysis revealed that the configuration of the >S S group of the major diastereomer (45% isolated yield) is syn to the thiolane ring, while that of the minor diastereomer (10% isolated yield) is anti to the thiolane ring. 1H NMR spectrum analysis clarified that the shielding and deshielding zones of the >SS group are similar to those >SS group; Chemical properties of the > 5 S group toward thermolysis, hydrolysis, and oxidation were clarified. The absorptions or bands in the UV/ vis IR and Raman spectra, which originate from the > SSgroup, were assigned on the basis of the B3LYP/ 6-31G* level calculations. Copyright