S-Methyl 2,4,6-trimethylbenzene-1-carbothioate

Base Information

• Chemical Name: S-Methyl 2,4,6-trimethylbenzene-1-carbothioate
• CAS No.: 39248-77-6
• Molecular Formula: C11H14OS
• Molecular Weight: 194.298
• DSSTox Substance ID: DTXSID90495067
• Wikidata: Q82342989
• Mol file: 39248-77-6.mol

Synonyms:39248-77-6;S-Methyl 2,4,6-trimethylbenzene-1-carbothioate;DTXSID90495067

Chemical Property of S-Methyl 2,4,6-trimethylbenzene-1-carbothioate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)SC)C

Technology Process of S-Methyl 2,4,6-trimethylbenzene-1-carbothioate

There total 3 articles about S-Methyl 2,4,6-trimethylbenzene-1-carbothioate 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: 64.0%

C2H3OS(1+)*F6Sb(1-) (75626-81-2) + 1,3,5-trimethyl-benzene (108-67-8) → methyl mesitylenethiocarboxylate (39248-77-6)

Guidance literature:

In liquid sulphur dioxide; at -70 ℃; for 0.166667h;

DOI:10.1021/jo00315a040

Reference yield:

methylthiol (74-93-1) + mesitylene-2-carboxylic acid chloride (938-18-1) → methyl mesitylenethiocarboxylate (39248-77-6)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1021/ja00485a030

Reference yield:

methyl thiochloroformate (18369-83-0) + 1,3,5-trimethyl-benzene (108-67-8) → methyl mesitylenethiocarboxylate (39248-77-6)

Guidance literature:

With aluminium trichloride;

upstream raw materials:

methylthiol

mesitylene-2-carboxylic acid chloride

methyl thiochloroformate

1,3,5-trimethyl-benzene

Downstream raw materials:

methyl 2,4,6-trimethylbenzoate

Refernces