Benzeneethanethioic acid, S-(1-methylpropyl) ester

Base Information

Chemical Name:Benzeneethanethioic acid, S-(1-methylpropyl) ester
CAS No.:61049-76-1
Molecular Formula:C₁₂H₁₆OS
Molecular Weight:208.324
Hs Code.:
DSSTox Substance ID:DTXSID10484155

Synonyms:Benzeneethanethioic acid, S-(1-methylpropyl) ester;61049-76-1;DTXSID10484155

Suppliers and Price of Benzeneethanethioic acid, S-(1-methylpropyl) ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzeneethanethioic acid, S-(1-methylpropyl) ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:208.09218630
Heavy Atom Count:14
Complexity:173

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzeneethanethioic acid, S-(1-methylpropyl) ester

There total 1 articles about Benzeneethanethioic acid, S-(1-methylpropyl) ester 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:

: 103-82-2
phenylacetic acid

: 513-53-1,91840-99-2
1-methyl-1-propanethiol

: 61049-76-1
Phenylacetyl-1-methylpropyl-thioether

Guidance literature:: Multistep reaction; (i) 2-fluoro-1-methyl-pyridinium toluene-4-sulfonate, Et₃N, (ii) /BRN= 1718766/, Et₃N;
DOI:10.1246/cl.1976.741