2,4,6-Trimethylbenzene-1-carbodithioic acid

Base Information

• Chemical Name: 2,4,6-Trimethylbenzene-1-carbodithioic acid
• CAS No.: 79253-88-6
• Molecular Formula: C10H12S2
• Molecular Weight: 196.337
• DSSTox Substance ID: DTXSID90507679
• Nikkaji Number: J1.606.851I
• Wikidata: Q82364044

Synonyms:79253-88-6;2,4,6-Trimethylbenzene-1-carbodithioic acid;DTXSID90507679

Chemical Property of 2,4,6-Trimethylbenzene-1-carbodithioic acid

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.03804273
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=S)S)C

Technology Process of 2,4,6-Trimethylbenzene-1-carbodithioic acid

There total 2 articles about 2,4,6-Trimethylbenzene-1-carbodithioic acid 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: 80.0%

carbon disulfide (75-15-0,12122-00-8) + 2,4,6-trimethylphenyl bromide (576-83-0) → 2,4,6-trimethyldithiobenzoic acid (79253-88-6)

Guidance literature:

carbon disulfide; 2,4,6-trimethylphenyl bromide; With magnesium; In tetrahydrofuran; diethyl ether; at -5 - 20 ℃; for 3h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water; at 0 ℃;

DOI:10.1002/chem.201704235

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2-mesitylmagnesium bromide (2633-66-1) → 2,4,6-trimethyldithiobenzoic acid (79253-88-6)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h; Schlenk technique;

DOI:10.1002/chem.201701952

Reference yield: 95.0%

2,4,6-trimethyldithiobenzoic acid (79253-88-6) → bis(2,4,6-trimethylthiobenzoyl) tetrasulfide (97346-98-0)

Guidance literature:

With disulfur dichloride; In tetrachloromethane; at 0 ℃; for 1h;

upstream raw materials:

carbon disulfide

2-mesitylmagnesium bromide

2,4,6-trimethylphenyl bromide

Downstream raw materials:

Bis<2,4,6-(trimethyl)thiobenzoyl> sulfide

bis(2,4,6-trimethylthiobenzoyl) trisulfide

bis(2,4,6-trimethylthiobenzoyl) tetrasulfide

In(C₆H₂(CH₃)3CS₂)3

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