Ethanethioic acid, S-(1-methylethyl) ester

Base Information

• Chemical Name: Ethanethioic acid, S-(1-methylethyl) ester
• CAS No.: 926-73-8
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70239067
• Nikkaji Number: J125.733A
• Wikidata: Q83121410
• Mol file: 926-73-8.mol

Synonyms:Ethanethioic acid, S-(1-methylethyl) ester;926-73-8;Acetic acid, thio-, S-isopropyl ester;S-Isopropyl thioacetate;Thioacetic acid S-isopropyl ester;Isopropyl thiolacetate;S-Isopropyl ethanethioate #;CH3C(O)SCH(CH3)2;SCHEMBL5212996;DTXSID70239067;Ethanethioic acid S-(isopropyl) ester

Chemical Property of Ethanethioic acid, S-(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 8.26mmHg at 25°C
• Boiling Point: 134°Cat760mmHg
• Flash Point: 30.6°C
• PSA: 42.37000
• Density: 0.964g/cm³
• LogP: 1.67450
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC(=O)C

Technology Process of Ethanethioic acid, S-(1-methylethyl) ester

There total 7 articles about Ethanethioic 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:

Reference yield: 81.0%

2-propanethiol (75-33-2) + acetyl chloride (75-36-5) → 2-acetylsulfanyl-propane (926-73-8)

Guidance literature:

at 60 ℃; for 4h;

DOI:10.1134/S096554411901002X

Reference yield: 47.0%

Acetyl bromide (506-96-7) + propane (74-98-6) → 2-acetylsulfanyl-propane (926-73-8)

Guidance literature:

With aluminum tri-bromide; In various solvent(s); at 20 ℃; for 2h; autoclave;

DOI:10.1007/BF00959637

Reference yield:

Ketene (463-51-4) + 2-propanethiol (75-33-2) → 2-acetylsulfanyl-propane (926-73-8)

Guidance literature:

With tetrachloromethane; sulfuric acid;

DOI:10.1021/ja01622a072

upstream raw materials:

toluene-4-sulfonic acid isopropyl ester

potassium thioacetate

Ketene

2-propanethiol

Downstream raw materials:

thioacetic acid

2-propanethiol

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