S-Methyl butanethioate

Base Information

• Chemical Name: S-Methyl butanethioate
• CAS No.: 2432-51-1
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• Hs Code.: 29309090
• European Community (EC) Number: 219-407-1
• UNII: 2P1E432MYZ
• DSSTox Substance ID: DTXSID5047669
• Nikkaji Number: J125.734J
• Wikidata: Q27161441
• Metabolomics Workbench ID: 44738
• Mol file: 2432-51-1.mol

Synonyms:methyl thiolbutyrate

Chemical Property of S-Methyl butanethioate

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 5.87mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 141.4 °C at 760 mmHg
• Flash Point: 34.4 °C
• PSA: 42.37000
• Density: 0.967 g/cm³
• LogP: 1.67610
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

99% ^*data from raw suppliers

S-Methyl Thiobutyrate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)SC
• Description: Methyl thiobutyrate has a putrid, rancid, sour, pungent cabbage odor.

Technology Process of S-Methyl butanethioate

There total 3 articles about S-Methyl butanethioate 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: 51.0%

1--butanethione (5309-97-7) + dimethyl sulfate (77-78-1) → ethylthioacetic acid methyl ester (2432-51-1)

Guidance literature:

In tetrahydrofuran; water; for 36h; Heating;

DOI:10.1016/S0040-4020(98)01096-5

Reference yield: 44.0%

butanoic acid methyl ester (623-42-7) + trimethylaluminum (75-24-1) → ethylthioacetic acid methyl ester (2432-51-1)

Guidance literature:

trimethylaluminum; With sulfur; In toluene; for 2h; Reflux;

butanoic acid methyl ester; In dichloromethane; toluene; at 0 - 20 ℃; for 2h;

DOI:10.1039/b909133e

Reference yield:

methylthiol (74-93-1) + butyryl chloride (141-75-3) → ethylthioacetic acid methyl ester (2432-51-1)

Guidance literature:

With pyridine;

DOI:10.1021/jo00964a006

upstream raw materials:

methylthiol

butyryl chloride

1--butanethione

dimethyl sulfate

Downstream raw materials:

cyclohexyl methyl sulfide

methyl 3-phenylpropyl sulfide

Refernces

• 1、 Harrowven, David C.,Lucas, Matthew C.,Howes, Peter D.. "A simple and direct method for converting thioamides into thioesters". . p. 1187 - 1196. Retrieved 2007/10/03.