Thioacetone

Base Information

• Chemical Name: Thioacetone
• CAS No.: 4756-05-2
• Molecular Formula: C3H6 S
• Molecular Weight: 74.1466
• Nikkaji Number: J337.060G
• Wikipedia: Thioacetone
• Wikidata: Q21099570
• Metabolomics Workbench ID: 55421
• Mol file: 4756-05-2.mol

Synonyms:Thioacetone;Propane-2-thione;2-propanethione;Propanethione;4756-05-2;CHEBI:36580;(CH3)2CS;Q21099570

Chemical Property of Thioacetone

Chemical Property:

• Vapor Pressure: 212mmHg at 25°C
• Boiling Point: 68.1°Cat760mmHg
• Flash Point: °C
• PSA: 32.09000
• Density: 0.89g/cm³
• LogP: 1.39610
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.01902136
• Heavy Atom Count: 4
• Complexity: 26.3

Purity/Quality:

99% ^*data from raw suppliers

THIOACETONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=S)C

Technology Process of Thioacetone

There total 25 articles about Thioacetone 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: 27.0%

2,3-Dimethyl-2-butene (563-79-1) + Quinoline-2-thione (2637-37-8,4481-48-5) → 2-(2-quinolyl)propane (17507-24-3) + thioacetone (4756-05-2) + 2-(2-Mercapto-1,1,2-trimethylpropyl)quinoline (111181-07-8) + Bis<1,1,2,2-tetramethyl-2-(2-quinolyl)ethyl>disulfide (111181-08-9)

Guidance literature:

In acetonitrile; for 3h; Further byproducts given; Irradiation;

DOI:10.1246/cl.1987.273

Reference yield:

acetone (67-64-1) → thioacetone (4756-05-2)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; In ethanol; at -55 ℃;

Reference yield:

2-methyl-2-thiol propionitrile (135986-79-7) → thioacetone (4756-05-2) + 2-mercaptopropene (2028-39-9)

Guidance literature:

With potassium carbonate; at 200 ℃; under 1E-06 Torr;

DOI:10.1016/S0040-4020(01)80958-3

upstream raw materials:

2,2-bis(ethylthio)propane

N-(propan-2-ylidene)aniline

acetone

5,6-dihydro-2,3-dimethyl-1,4-oxathiine

Downstream raw materials:

4-ethoxy-benzo[e][1,3]oxazine-2-thione

4-ethoxy-benzo[4,5]thieno[2,3-e][1,3]oxazine-2-thione

3,4-dihydro-2H,6H-pyrimido[1,2-c][1,3]benzoxazine-6-thione

hexamethyl-[1,3,5]trithiane

Refernces

• 1、 Hewitt, Russell J.,Ong, Michelle Jui Hsien,Lim, Yi Wee,Burkett, Brendan A.. "Investigations of the Thermal Responsiveness of 1,4,2-Oxathiazoles". . p. 6687 - 6700. Retrieved 2015/10/29.
• 2、 Reisenauer, Hans Peter,Mloston, Grzegorz,Romanski, Jaroslaw,Schreiner, Peter R.. "Photochemical formation and reactivities of substituted oxathiiranes in low-temperature argon matrices". scheme or table. p. 6269 - 6275. Retrieved 2011/12/02.