S-Methyl propanethioate

Base Information

• Chemical Name: S-Methyl propanethioate
• CAS No.: 5925-75-7
• Molecular Formula: C4H8OS
• Molecular Weight: 104.173
• European Community (EC) Number: 639-123-5
• UNII: 3WP1B49B1P
• DSSTox Substance ID: DTXSID801020172
• Nikkaji Number: J596.642F
• Wikidata: Q27258146
• Metabolomics Workbench ID: 44739
• Mol file: 5925-75-7.mol

Synonyms:S-Methyl propanethioate;5925-75-7;s-methyl thiopropionate;S-Methyl thiopropanoate;FEMA No. 4172;3WP1B49B1P;S-Methyl propanethioate [FHFI];Propanethioic acid, S-methyl ester;Propionic acid, thio-, S-methyl ester;UNII-3WP1B49B1P;S-Methyl methylthiopropionate;S-METHYL PROPANTHIOATE;SCHEMBL1245998;1-(methylsulfanyl)propan-1-one;Propanethioic acid S-methyl ester;CHEBI:179441;DTXSID801020172;MFCD00040063;AKOS006272057;FT-0654949;M3279;Q-100686;Q27258146

Chemical Property of S-Methyl propanethioate

Chemical Property:

• Refractive Index: 1.46
• Boiling Point: 116.4 °C at 760 mmHg
• Flash Point: 22 °C
• PSA: 42.37000
• Density: 0.985 g/cm³
• LogP: 1.28600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.02958605
• Heavy Atom Count: 6
• Complexity: 51.5

Purity/Quality:

99% ^*data from raw suppliers

S-Methyl Thiopropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)SC

Technology Process of S-Methyl propanethioate

There total 9 articles about S-Methyl propanethioate 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: 57.0%

methyl thiocyanate (556-64-9) + propionic acid (802294-64-0,79-09-4) → methyl-3-thiopropionate (5925-75-7)

Guidance literature:

With trifluorormethanesulfonic acid; for 4h; Heating;

Reference yield:

aqueous sodium methanethiolate + propionyl chloride (79-03-8) + benzyltrimethylammonium chloride (56-93-9) → methyl-3-thiopropionate (5925-75-7)

Guidance literature:

In tetrahydrofuran; water;

Reference yield:

(carboxymethyl)(methyl thiopropionate)bis(dimethylglyoximato)cobalt(III) (81956-71-0) → methyl-3-thiopropionate (5925-75-7) + (carboxymethyl)aquocobaloxime (60193-28-4)

Guidance literature:

With KCl; H₂O; In water; 25°C; not isolated, detected spectrophotometrically; Kinetics;

DOI:10.1021/ja00379a013

upstream raw materials:

methylthiol

propionyl chloride

1,1-bis-methylsulfanyl-propene

(Z)-3-(methylthio)-2-pentene

Downstream raw materials:

Trimethyl-((E)-1-methylsulfanyl-propenyloxy)-silane

methyl dithiopropionate

(carboxymethyl)(methyl thiopropionate)bis(dimethylglyoximato)cobalt(III)

Refernces

• 1、 Vinokurov, V. A.,Gaevoi, E. G.,Klimova, L. Z.,Karakhanov, R. A.. "SYNTHESIS OF S-METHYL ARENE- AND ALKANECARBOTHIOATES BY THE REACTION OF CARBOXYLIC ACIDS WITH METHYL THIOCYANATE". . p. 1990 - 1991. Retrieved 2007/10/02.
• 2、 Brown, Kenneth L.,Zahonyi-Budo, Eva. "Substituen Effect of Chelated Cobalt. 5. Acidities of (Carboxymethyl)- and (1-Carboxyethyl)cobaloximes. A Quantitative Analysis of the β Effect". . p. 4117 - 4124. Retrieved 2007/10/02.