(Ethylthio)acetone

Base Information

• Chemical Name: (Ethylthio)acetone
• CAS No.: 20996-62-7
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• Hs Code.: 2930909090
• European Community (EC) Number: 244-143-9
• NSC Number: 100147
• DSSTox Substance ID: DTXSID00175207
• Nikkaji Number: J99.939C
• Wikidata: Q83045481
• Mol file: 20996-62-7.mol

Synonyms:(Ethylthio)acetone;20996-62-7;1-ethylsulfanylpropan-2-one;2-Propanone, 1-(ethylthio)-;1-(Ethylthio)acetone;Ethyl 2-oxopropyl sulfide;1-(Ethylthio)-2-propanone;1-(ethylthio)propan-2-one;2-Propanone,1-(ethylthio)-;Thioethoxy acetone;NSC100147;CH3COCH2SCH2CH3;(Ethylthio)acetone, 95%;.alpha.-(Ethylthio)acetone;1-(Ethylsulfanyl)acetone #;SCHEMBL980824;DTXSID00175207;EINECS 244-143-9;MFCD00026976;AKOS009159190;NSC 100147;NSC-100147;FT-0604966

Chemical Property of (Ethylthio)acetone

Chemical Property:

• Vapor Pressure: 2.32mmHg at 25°C
• Refractive Index: 1.4720
• Boiling Point: 161 °C at 760 mmHg
• Flash Point: 50.5 °C
• PSA: 42.37000
• Density: 0.967 g/cm³
• LogP: 1.32850
• XLogP3: 1
• 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:

98%,99%, ^*data from raw suppliers

(ETHYLTHIO)ACETONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCC(=O)C

Technology Process of (Ethylthio)acetone

There total 11 articles about (Ethylthio)acetone 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: 90.0%

3-Ethylsulfanyl-2-methoxy-propene → 1-(ethylthio)acetone (20996-62-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; Ambient temperature;

DOI:10.1002/cber.19971300107

Reference yield: 85.0%

chloroacetone (78-95-5) + ethanethiol (75-08-1) → 1-(ethylthio)acetone (20996-62-7)

Guidance literature:

With potassium carbonate; Aliquat 336; In toluene; Ambient temperature;

Reference yield: 70.0%

chloroacetone (78-95-5) + ethanethiol (75-08-1) → 1-(ethylthio)acetone (20996-62-7) + cis-1,2-di(ethylthio)-1-propene (65818-33-9) + trans-1,2-di(ethylthio)-1-propene (114232-68-7)

Guidance literature:

In cyclohexane; for 10h; Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

chloroacetone

ethanethiol

Diethyl disulfide

acetone

Downstream raw materials:

2-ethylmercapto-1-methyl-ethanol

ethylsulfanyl-acetone-(2,4-dinitro-phenylhydrazone)

1-(ethanesulfonyl)propane-2-one

Benzyl-phosphoramidic acid (E)-2-ethylsulfanyl-1-methyl-vinyl ester methyl ester

Refernces

• 1、 Singh, Satwinder,Kumar, Subodh,Chimni, Swapandeep Singh. "Humicola lanuginosa lipase-catalyzed enantioselective resolution of β-hydroxy sulfides: Versatile synthons for enantiopure β-hydroxy sulfoxides". . p. 2457 - 2462. Retrieved 2007/10/03.
• 2、 Zwanenburg,Philipse,Verstappen,Gieling. "Sulfur substituted small-ring heterocycles". . p. 453 - 454. Retrieved 2007/10/03.