tert-Butyl methyl sulfide

Base Information

• Chemical Name: tert-Butyl methyl sulfide
• CAS No.: 6163-64-0
• Molecular Formula: C5H12 S
• Molecular Weight: 104.216
• Hs Code.: 2930909090
• European Community (EC) Number: 628-781-9
• NSC Number: 97331
• UNII: 2GNH9VB6FM
• DSSTox Substance ID: DTXSID20210644
• Nikkaji Number: J43.412D
• Wikidata: Q83085406
• Mol file: 6163-64-0.mol

Synonyms:tert-Butyl methyl sulfide;6163-64-0;Propane, 2-methyl-2-(methylthio)-;Sulfide, tert-butyl methyl;2-methyl-2-methylsulfanylpropane;3,3-Dimethyl-2-thiabutane;Methyl tert-butyl sulfide;tert-butyl(methyl)sulfane;2-Methyl-2-(methylthio)propane;2GNH9VB6FM;NSC 97331;NSC-97331;97759-61-0;t-butyl methyl sulfide;Methyl t-butyl sulfide;UNII-2GNH9VB6FM;tert-Butyl methyl sulphide;(CH3)3CSCH3;SCHEMBL152843;tert-Butyl methyl sulfide, 97%;1,1-Dimethylethyl methyl sulfide;DTXSID20210644;2-Methyl-2-(methylthio)-propane;CJFVCTVYZFTORU-UHFFFAOYSA-N;2-Methyl-2-(methylsulfanyl)propane;NSC97331;MFCD00008840;2-Methyl-2-(methylsulfanyl)propane #;AKOS015912962;AS-77696;B1475;CS-0326865;FT-0725968;D88816

Chemical Property of tert-Butyl methyl sulfide

Chemical Property:

• Vapor Pressure: 40.5mmHg at 25°C
• Melting Point: -82.31°C
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 101-102oC(lit.)
• Flash Point: 25 °F
• PSA: 25.30000
• Density: 0.826
• LogP: 2.14790
• Storage Temp.: Flammables area
• Solubility.: Difficult to mix.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tert-ButylMethylSulphide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SC
• Uses: tert-Butyl methyl sulfide is used for LPG refining process and It have high content of sulfur.

Technology Process of tert-Butyl methyl sulfide

There total 10 articles about tert-Butyl methyl sulfide 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:

S-tert-butyl benzothioate (13291-44-6) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + tert-butyl methyl sulphide (6163-64-0) + diphenyl acetylene (501-65-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; methyl iodide; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, electrochemical reduction: Pt electrode, 2.) 0.5 h;

Reference yield:

S-tert-butyl benzothioate (13291-44-6) + methyl iodide (74-88-4) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + tert-butyl methyl sulphide (6163-64-0) + diphenyl acetylene (501-65-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, electrochemical reduction: Hg-electrode, 2.) 0.5 h;

Reference yield:

((C6H5)2P(CH2)3P(C6H5)2)Pd(SC(CH3)3)(CH3) (213540-27-3) + triphenylphosphine (603-35-0) → tetrakis(triphenylphosphine) palladium(0) (14221-01-3) + bis-[1,3-(diphenylphosphino)propane]palladium(0) (31989-49-8) + tert-butyl methyl sulphide (6163-64-0)

Guidance literature:

In benzene-d6; (N2); 95°C (water bath); Kinetics;

DOI:10.1021/ja981428p

upstream raw materials:

S-tert-butyl benzothioate

Dithiobenzoesaeure-tert-butylester

methyl iodide

((C₆H₅)2P(CH₂)3P(C₆H₅)2)Pd(SC(CH₃)3)(CH₃)

Downstream raw materials:

tert-butyl methyl sulfoxide

methyl radical

C₁₇H₁₉S

bis(tributyltin)sulfide