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Benzenesulfinothioic acid, 2,4,6-tris(1-methylethyl)-, S-[2,4,6-tris(1-methylethyl)phenyl] ester, also known as 2,4,6-tri-tert-butylbenzenesulfinyl thioate, is a complex organic compound with the chemical formula C18H26O2S2. It is a derivative of benzenesulfinothioic acid, where the phenyl group is substituted with three tert-butyl groups (1-methylethyl) at the 2, 4, and 6 positions. Benzenesulfinothioic acid, 2,4,6-tris(1-methylethyl)-, S-[2,4,6-tris(1-methylethyl)phenyl] ester is an ester, formed by the reaction of the corresponding alcohol (2,4,6-tri-tert-butylphenol) with the corresponding acid (benzenesulfinothioic acid). It is a colorless to pale yellow liquid with a molecular weight of 342.53 g/mol. Benzenesulfinothioic acid, 2,4,6-tris(1-methylethyl)-, S-[2,4,6-tris(1-methylethyl)phenyl] ester is primarily used as a synthetic intermediate in the production of various organic compounds, particularly in the pharmaceutical and agrochemical industries, due to its unique chemical properties and reactivity.

989-39-9

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989-39-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 989-39-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,8 and 9 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 989-39:
(5*9)+(4*8)+(3*9)+(2*3)+(1*9)=119
119 % 10 = 9
So 989-39-9 is a valid CAS Registry Number.

989-39-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name S-(2,4,6-triisopropylphenyl) 2,4,6-triisopropylbenzenesulfinothioate

1.2 Other means of identification

Product number -
Other names (2,4,6-Triisopropyl-phenyl)-2,4,6-triisopropyl-benzothiolsulfinat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

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More Details:989-39-9 SDS

989-39-9Relevant academic research and scientific papers

PREPARATION AND SPECTRAL PROPERTIES OF SYMMETRICAL S-ARYL ARENESULFONOTHIOATES (THIOSULFONATES)

Freeman, Fillmore,Bartosik, Lisa G.,Bui, Nghe Van,Keindl, Monica C.,Nelson, Eric L.

, p. 375 - 386 (2007/10/02)

Arenesulfinyl chlorides (4-XC6H4S(O)Cl; X = H, CH3, F, Cl, Br) react with activated zerovalent zinc in benzene at 6 to 8 deg C to give symmetrical S-aryl arenesulfonothioates (thiosulfonates) in good to excellent yields. 2- and 3-substituted arenesulfinyl chlorides (X=Cl, CH3) give a mixture of products (disulfide, thiosulfinate, and/or thiosulfonate). 2,4,6-Triisopropylbenzenesulfinyl chloride reacts with zinc in 1,2-dimethoxyethane to give S-(2,4,6-triisopropylphenyl) 2,4,6-triisopropylbenzenesulfinothioate and bis(2,4,6-triisopropylphenyl) disulfide.Possible mechanisms for the reaction, the 1H and 13C NMR spectra and the chemical ionization and electron impact mass spectra of the thiosulfonates are discussed.The para carbon substituent chemical shifts (Cp-SCS) for the thiosulfonates and for symmetrical diaryl disulfides have been subjected to several dual substituent parameter (DSP) correlations. Key Words: S-aryl-arenesulfonothioates (thiosulfonates); arenesulfinyl chlorides; 1H and 13C NMR; mass spectrometry; substituent shift parameters.

Chemistry of Sulfenic Acids. 3. Studies of Sterically Hindered Sulfenic Acids Using Flash Vacuum Pyrolysis

Davis, Franklin A.,Jenkins, Robert H.,Rizvi, Syed Q. A.,Yocklovich, Steven G.

, p. 3467 - 3474 (2007/10/02)

Flash vacuum pyrolysis (FVP) of sulfoxides containing β-hydrogen atoms affords sulfenic acids (RSOH) in good concentration under conditions where they are stable.The application of this technique to the synthesis and study of sterically hindered sulfenic acids 12a-e is described.The principal or primary reaction of simple sulfenic acids prepared in this manner is dehydration to thiosulfinates 13 (eq 1).Steric inhibition to dehydration (eq 1) appears to only be of importance for 2-methyl-2-propanesulfenic acid (12a) which was trapped in good yield with methyl propiolate to afford 16a. 2,4,6-Tri-tert-butylbenzenesulfenic acid (12e) appears to be destabilized as a consequence of interaction between the SOH and adjacent tert-butyl groups.In the pyrolysis section of the apparatus, 12e decomposes to phenol 21 and aryl radical 22, which reacts further.Thermolysis of sulfoxides generates the sulfenic acids 12a-e in very low concentration at any one time.The products of sulfenic acids generated in this way result from secondary reactions of the corresponding thiosulfinates.

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