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Benzenepropanethioic acid, S-(1-methylethyl) ester

Base Information
  • Chemical Name:Benzenepropanethioic acid, S-(1-methylethyl) ester
  • CAS No.:53573-31-2
  • Molecular Formula:C12H16OS
  • Molecular Weight:208.32000
  • Hs Code.:
  • DSSTox Substance ID:DTXSID60454666
  • Nikkaji Number:J951.283G
  • Wikidata:Q82276327
  • Mol file:53573-31-2.mol
Benzenepropanethioic acid, S-(1-methylethyl) ester

Synonyms:53573-31-2;Benzenepropanethioic acid, S-(1-methylethyl) ester;DTXSID60454666;Benzenepropanethioic acid S-isopropyl ester

Suppliers and Price of Benzenepropanethioic acid, S-(1-methylethyl) ester
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
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Chemical Property of Benzenepropanethioic acid, S-(1-methylethyl) ester
Chemical Property:
  • PSA:42.37000 
  • LogP:3.28740 
  • XLogP3:3.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:5
  • Exact Mass:208.09218630
  • Heavy Atom Count:14
  • Complexity:171
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)SC(=O)CCC1=CC=CC=C1
Technology Process of Benzenepropanethioic acid, S-(1-methylethyl) ester

There total 3 articles about Benzenepropanethioic acid, S-(1-methylethyl) 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:
Guidance literature:
With diethyl cyanophosphonate; triethylamine; In N,N-dimethyl-formamide;
Guidance literature:
Multi-step reaction with 2 steps
1: [Bu4N][Fe(CO)3(NO)] / 1,4-dioxane / 22 h / 80 °C / Molecular sieve
2: [Bu4N][Fe(CO)3(NO)] / 1,4-dioxane / 24 h / 20 - 80 °C / Molecular sieve; Inert atmosphere
With [Bu4N][Fe(CO)3(NO)]; In 1,4-dioxane;
DOI:10.1002/chem.201101073
Guidance literature:
Multi-step reaction with 2 steps
1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 0 - 20 °C
2: [Bu4N][Fe(CO)3(NO)] / 1,4-dioxane / 24 h / 20 - 80 °C / Molecular sieve; Inert atmosphere
With dmap; dicyclohexyl-carbodiimide; In 1,4-dioxane; dichloromethane;
DOI:10.1002/chem.201101073
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