1-Mercapto-2-propanone

Base Information

• Chemical Name: 1-Mercapto-2-propanone
• CAS No.: 24653-75-6
• Molecular Formula: C3H6OS
• Molecular Weight: 90.146
• Hs Code.: 2930909090
• European Community (EC) Number: 639-011-6
• UNII: YAZ3C89IVG
• DSSTox Substance ID: DTXSID50179396
• Nikkaji Number: J346.159I
• Wikidata: Q27162020
• Metabolomics Workbench ID: 44166
• Mol file: 24653-75-6.mol

Synonyms:1-Mercapto-2-propanone;1-sulfanylpropan-2-one;Mercaptoacetone;24653-75-6;2-Propanone, 1-mercapto-;1-Sulfanylacetone;mercapto-2-propanone;UNII-YAZ3C89IVG;YAZ3C89IVG;2-Propanone, 1-mercapto- (8CI,9CI);acetonylmercaptan;mercaptopropanone;Acetonyl mercaptan;2-Oxopropanethiol;2-PROPANONE, MERCAPTO-;3-MERCAPTO-2-PROPANONE;FEMA NO. 3856;CHEBI:89835;FEMA 3856;DTXSID50179396;MFCD00129680;AKOS006274406;1-MERCAPTO-2-PROPANONE [FHFI];EN300-92052;Q27162020

Chemical Property of 1-Mercapto-2-propanone

Chemical Property:

• Appearance/Colour: colourless to pale yellow liquid
• Vapor Pressure: 8.39mmHg at 25°C
• Melting Point: 45 °C
• Refractive Index: 1.447
• Boiling Point: 133.6 ºC at 760 mmHg
• PKA: 7.94±0.10(Predicted)
• Flash Point: 34.6 ºC
• PSA: 55.87000
• Density: 1.01 g/cm³
• LogP: 0.50520
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 90.01393598
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CS

Technology Process of 1-Mercapto-2-propanone

There total 9 articles about 1-Mercapto-2-propanone 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: 99.0%

chloroacetone (78-95-5) → 1-mercaptopropan-2-one (24653-75-6)

Guidance literature:

With sodium hydrogen sulfide; In ethanol; water; at 10 - 20 ℃; for 1h;

Reference yield:

O-ethyl S-2-oxopropyl carbonodithioate (49762-80-3) → 1-mercaptopropan-2-one (24653-75-6)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1039/P19850001623

Reference yield:

thioacetylacetone (14660-20-9) → 1-mercaptopropan-2-one (24653-75-6)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.joc.9b03055

upstream raw materials:

chloroacetone

thietane-3-one

O-ethyl S-2-oxopropyl carbonodithioate

1-bromoacetone

Downstream raw materials:

2-oxopropyl 1-benzenecarbothioate

4-methyl-3-phenyl-1,3-thiazole-2(3H)-thione

4-methyl-3-phenyl-2-(N-phenylimino)-1,3-thiazoline

4-methyl-2-p-tolyl-2,5-dihydro-thiazole

Refernces

• 1、 Bernardi, Luca,Bertuzzi, Giulio,Fochi, Mariafrancesca,Mazzanti, Andrea,Moimare, Pierluigi,Pecorari, Daniel,Silvestrini, Filippo. "Chemodivergent Preparation of Various Heterocycles via Phase-Transfer Catalysis: Enantioselective Synthesis of Functionalized Piperidines". supporting information. . Retrieved 2020/02/11.
• 2、 Debray, Julien,Lemaire, Marc,Popowycz, Florence. "Straightforward synthesis of 2-acetyl-substituted benzo[b]thiophenes". . p. 37 - 40. Retrieved 2013/02/23.