4,4'-Thiobis-2-butanone

Base Information

• Chemical Name: 4,4'-Thiobis-2-butanone
• CAS No.: 40790-04-3
• Molecular Formula: C8H14O2S
• Molecular Weight: 174.264
• Hs Code.: 2930909090
• NSC Number: 42865
• UNII: YYI4W02CLD
• DSSTox Substance ID: DTXSID8068254
• Nikkaji Number: J422.427B
• Wikidata: Q27294791
• Metabolomics Workbench ID: 47644
• Mol file: 40790-04-3.mol

Synonyms:4,4'-Thiobis-2-butanone;40790-04-3;4,4'-Thiobis(2-butanone);4-(3-oxobutylsulfanyl)butan-2-one;4,4'-Thiodi(2-butanone);2-Butanone, 4,4'-thiobis-;5-Thianona-2,8-dione;Di(butan-3-one-1-yl) sulfide;2-Butanone, 4,4'-thiodi-;FEMA No. 3335;UNII-YYI4W02CLD;YYI4W02CLD;2-Butanone, 4,4-thiobis-;di-(butan-3-one-1-yl) sulfide;NSC 42865;NSC-42865;NSC42865;Bis(3-oxobutyl) sulfide;2-Butanone,4'-thiobis-;4,4'-Thiodi-2-Butanone;SCHEMBL3504701;DTXSID8068254;4,4'-sulphanediyldibutan-2-one;4-(3-oxobutylthio)-2-butanone;FEMA 3335;CHEBI:169692;4-(3-oxobutylsulanyl)butan-2-one;4.4'-THIOBIS-2-BUTANONE;4-[(3-oxobutyl)sulfanyl]butan-2-one;AKOS015897458;FT-0653561;DI(BUTAN-3-ONE-1-YL) SULFIDE [FHFI];A825288;Q27294791

Chemical Property of 4,4'-Thiobis-2-butanone

Chemical Property:

• Boiling Point: 288.6 °C at 760 mmHg
• Flash Point: 121.3 °C
• PSA: 59.44000
• Density: 1.032 g/cm³
• LogP: 1.67780
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 174.07145086
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99%, ^*data from raw suppliers

4,4'-THIOBIS(2-BUTANONE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCSCCC(=O)C

Technology Process of 4,4'-Thiobis-2-butanone

There total 1 articles about 4,4'-Thiobis-2-butanone 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:

methyl vinyl ketone (78-94-4,25038-87-3) → 4,4'-sulfanediyl-bis-butan-2-one (40790-04-3) + 4-Mercapto-2-butanone (34619-12-0)

Guidance literature:

With sulfuric acid; hydrogen sulfide; at 70 ℃;

Reference yield:

4,4'-sulfanediyl-bis-butan-2-one (40790-04-3) → 1-(4-methyl-5,6-dihydro-2H-thiopyran-3-yl)-ethanone (98558-19-1)

Guidance literature:

With hydrogenchloride; at 140 ℃;

Reference yield:

4,4'-sulfanediyl-bis-butan-2-one (40790-04-3) → 1-(4-methyl-5,6-dihydro-2H-thiopyran-3-yl)-ethanone-(2,4-dinitro-phenylhydrazone)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid / 140 °C

With hydrogenchloride;

upstream raw materials:

methyl vinyl ketone

Downstream raw materials:

1-(4-methyl-5,6-dihydro-2H-thiopyran-3-yl)-ethanone