1,3,5-Tris(methylthio)benzene

Base Information

• Chemical Name: 1,3,5-Tris(methylthio)benzene
• CAS No.: 2388-71-8
• Molecular Formula: C₉H₁₂S₃
• Molecular Weight: 216.392
• DSSTox Substance ID: DTXSID901308000
• Nikkaji Number: J956.129C
• Mol file: 2388-71-8.mol

Synonyms:1,3,5-Tris(methylthio)benzene;2388-71-8;SCHEMBL2866234;DTXSID901308000

Chemical Property of 1,3,5-Tris(methylthio)benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.01011390
• Heavy Atom Count: 12
• Complexity: 91.2

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC(=CC(=C1)SC)SC

Technology Process of 1,3,5-Tris(methylthio)benzene

There total 5 articles about 1,3,5-Tris(methylthio)benzene 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:

Dimethyldisulphide (624-92-0) + 1,3,5-tris(trimethylstannyl)benzene (197141-36-9) → (CH3)3SnC6H3(SCH3)2 (260269-21-4) + [(CH3)3Sn]2C6H3(SCH3) (260269-22-5) + 1,3,5-Tris(methylthio)benzene (2388-71-8)

Guidance literature:

With CH₃Li; In tetrahydrofuran; diethyl ether; (Ar); CH3Li in Et2O added dropwise to ((CH3)3Sn)3C6H3 in THF (-70°C); warmed to -50°C, stirred (30 min); CH3SSCH3 added dropwise;mixt. decolorized; stirred (0.5 h); CH3OD added; warmed to room temp.; water and C6(CH3)6 added; extd. (Et2O); washed (water, brine); dried (MgSO4); identified by gas chromy.-massspectrometry; yields detd. by gas chromy.;

DOI:10.1016/S0022-328X(99)00471-4

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1,3,5-trimercaptobenzene (38004-59-0) → 1,3,5-Tris(methylthio)benzene (2388-71-8)

Guidance literature:

With diethyl ether;

Reference yield:

1,3,5-trimercaptobenzene (38004-59-0) + methyl iodide (74-88-4) → 1,3,5-Tris(methylthio)benzene (2388-71-8)

Guidance literature:

With alkali;

upstream raw materials:

diazomethane

1,3,5-trimercaptobenzene

methyl iodide

1,3,5-benzenetrisulfonyl chloride