1,4-Benzenedithiol, 2,3,5,6-tetramethyl-

Base Information

• Chemical Name: 1,4-Benzenedithiol, 2,3,5,6-tetramethyl-
• CAS No.: 70470-85-8
• Molecular Formula: C10H14S2
• Molecular Weight: 198.353
• DSSTox Substance ID: DTXSID10446415
• Nikkaji Number: J1.063.976J
• Wikidata: Q82265047
• Mol file: 70470-85-8.mol

Synonyms:1,4-Benzenedithiol, 2,3,5,6-tetramethyl-;70470-85-8;SCHEMBL9293111;DTXSID10446415;2,3,5,6-Tetramethyl-1,4-benzenedithiol

Chemical Property of 1,4-Benzenedithiol, 2,3,5,6-tetramethyl-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.05369279
• Heavy Atom Count: 12
• Complexity: 124

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=C(C(=C(C(=C1S)C)C)S)C

Technology Process of 1,4-Benzenedithiol, 2,3,5,6-tetramethyl-

There total 2 articles about 1,4-Benzenedithiol, 2,3,5,6-tetramethyl- 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: 69.0%

1,4-bis(isopropylthio)-2,3,5,6-tetramethylbenzene → 2,3,5,6-tetramethylbenzene-1,4-dithiol (70470-85-8)

Guidance literature:

1,4-bis(isopropylthio)-2,3,5,6-tetramethylbenzene; With sodium; In N,N-dimethyl acetamide; at 100 ℃; for 8h; Inert atmosphere; Glovebox;

With hydrogenchloride; In N,N-dimethyl acetamide; water; for 0.5h; Inert atmosphere;

DOI:10.1039/d1dt01652k

Reference yield:

→ 2,3,5,6-tetramethylbenzene-1,4-dithiol (70470-85-8)

Guidance literature:

entspr. S,S'-Dimethyldithiocarbamat, Py. (Δ);

DOI:10.1021/jo01329a008

Reference yield: 65.0%

(triphenylphosphine)gold(I) chloride (14243-64-2) + 2,3,5,6-tetramethylbenzene-1,4-dithiol (70470-85-8) → [(((C6H5)3P)Au)2(SC6(CH3)4S)] (220548-25-4)

Guidance literature:

With triethylamine; In methanol; (O2); refluxing (3 h); elem. anal.;

DOI:10.1016/S0277-5387(98)00339-8

Downstream raw materials:

[(((C₆H₅)3P)Au)2(SC₆(CH₃)4S)]