4-Methyl-1,3-dithiolane-2-thione

Base Information

• Chemical Name: 4-Methyl-1,3-dithiolane-2-thione
• CAS No.: 3489-45-0
• Molecular Formula: C4H6S3
• Molecular Weight: 150.29
• NSC Number: 40449
• Nikkaji Number: J706.476D
• Mol file: 3489-45-0.mol

Synonyms:4-methyl-1,3-dithiolane-2-thione;1, 4-methyl;cyclic trithiocarbonate-1,2-Propanedithiol;1,- cyclic carbonotrithioate;SCHEMBL1378256;NSC40449;NSC-40449;3489-45-0

Chemical Property of 4-Methyl-1,3-dithiolane-2-thione

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Boiling Point: 295.5°Cat760mmHg
• Flash Point: 132.5°C
• Density: 1.36g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.96316371
• Heavy Atom Count: 7
• Complexity: 88.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CSC(=S)S1

Technology Process of 4-Methyl-1,3-dithiolane-2-thione

There total 3 articles about 4-Methyl-1,3-dithiolane-2-thione 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: 38.0%

carbon disulfide (75-15-0,12122-00-8) + methyloxirane (75-56-9,16033-71-9) → 1,2-propylene cyclic carbonate (108-32-7) + 4-methyl-1,3-dithiolane-2-thione (3489-45-0) + 5-methyl-1,3-oxathiolan-2-one (2953-56-2) + 5-methyl-1,3-oxathiolane-2-thione (21033-18-1) + 4-methyl-1,3-dithiolan-2-one (21548-49-2)

Guidance literature:

With chloroaluminum(SALEN); tetrabutylammomium bromide; at 100 ℃; for 9h; Catalytic behavior; Inert atmosphere; Schlenk technique; Autoclave;

DOI:10.1002/aoc.2908

Reference yield: 32.0%

carbon disulfide (75-15-0,12122-00-8) + methyloxirane (75-56-9,16033-71-9) → 1,2-propylene cyclic carbonate (108-32-7) + 4-methyl-1,3-dithiolane-2-thione (3489-45-0) + 5-methyl-1,3-oxathiolan-2-one (2953-56-2) + 4-methyl-1,3-dithiolan-2-one (21548-49-2)

Guidance literature:

With Al(OC₆H₄CHNCH₂CH₂NCHC₆H₄O)(C₂H₅); bis(triphenylphosphine)iminium chloride; at 100 ℃; for 9h; Catalytic behavior; Inert atmosphere; Autoclave; Schlenk technique;

DOI:10.1002/aoc.2908

Reference yield:

2,2'-<1,2-ethanediylbis(thio)>bis-1,3-dithiolane (33145-02-7) + 1,2-Dibromopropane (78-75-1) → 1,3-dithiolane-2-thione (822-38-8) + 4-methyl-1,3-dithiolane-2-thione (3489-45-0)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, -5-(-10) grad C, 30 min, nitrogen, 2.) THF, 1 h at -5-(-10) grad C then 24 h at room temp.;

DOI:10.1016/S0040-4039(01)92515-8

upstream raw materials:

2,2'-<1,2-ethanediylbis(thio)>bis-1,3-dithiolane

1,2-Dibromopropane

carbon disulfide

methyloxirane

Downstream raw materials:

cyclohexene sulfide

4-methyl-1,3-dithiolan-2-one

trans-3a,4,5,6,7,7a-Hexahydro-2H-1,3-benzodithiole-2-thione

1,2-propanedithiol

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