1H-Imidazole, 2,2'-dithiobis[1-methyl-

Base Information

• Chemical Name: 1H-Imidazole, 2,2'-dithiobis[1-methyl-
• CAS No.: 61747-29-3
• Molecular Formula: C8H10N4S2
• Molecular Weight: 226.326
• European Community (EC) Number: 852-156-1
• ChEMBL ID: CHEMBL4798394
• DSSTox Substance ID: DTXSID00485777
• Nikkaji Number: J1.756.136G
• Wikidata: Q82325274

Synonyms:61747-29-3;1H-Imidazole, 2,2'-dithiobis[1-methyl-;1,2-bis(1-methyl-1H-imidazol-2-yl)disulfane;1-METHYL-2-[(1-METHYLIMIDAZOL-2-YL)DISULFANYL]IMIDAZOLE;CHEMBL4798394;1-methyl-2-[(1-methyl-1H-imidazol-2-yl)disulfanyl]-1H-imidazole;SCHEMBL8938457;DTXSID00485777;BDBM50555855;2,2'-disulfanediylbis(1-methylimidazole);PD168655;F75216;EN300-22171406

Chemical Property of 1H-Imidazole, 2,2'-dithiobis[1-methyl-

Chemical Property:

• Melting Point: 138 °C
• Boiling Point: 457.8±28.0 °C(Predicted)
• PSA: 86.24000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 1.95300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 226.03468868
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1SSC2=NC=CN2C

Technology Process of 1H-Imidazole, 2,2'-dithiobis[1-methyl-

There total 1 articles about 1H-Imidazole, 2,2'-dithiobis[1-methyl- 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: 3.0%

2-chloro-2-nitro-propane (594-71-8) + sodium salt of 1-methylimidazole-2-thiolate (50476-76-1) → 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + bis(1-methyl-1H-imidazole-2-yl)disulfide (61747-29-3) + 1-methylimidazol-2-yl 1-methyl-1-nitroethyl sulphide (95106-82-4)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; for 6.5h; Irradiation;

DOI:10.1039/P19840002327

Reference yield:

bis(1-methyl-1H-imidazole-2-yl)disulfide (61747-29-3) → 1-methyl-1,3-dihydro-imidazole-2-thione (60-56-0,223768-14-7,4708-61-6)

Guidance literature:

With sodium perchlorate; sodium iodide; at 20 ℃; Equilibrium constant;

upstream raw materials:

2-chloro-2-nitro-propane

sodium salt of 1-methylimidazole-2-thiolate

Downstream raw materials:

1-methyl-1,3-dihydro-imidazole-2-thione

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