55901-21-8

Basic information

• Product Name: 1H-Benzimidazole,2-(propylthio)-(9CI)
• Synonyms: 1H-Benzimidazole,2-(propylthio)-(9CI);2-(propylthio)-1H-benzo[d]imidazole;2-(propylsulfanyl)-1H-1,3-benzodiazole;1H-benzimidazol-2-yl propyl sulfide
• CAS NO: 55901-21-8
• Molecular Formula: C₁₀H₁₂N₂S
• Molecular Weight: 192.28068
• Product Categories: BENZIMIDAZOLE
• Mol File: 55901-21-8.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Benzimidazole,2-(propylthio)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazole,2-(propylthio)-(9CI)(55901-21-8)
• EPA Substance Registry System: 1H-Benzimidazole,2-(propylthio)-(9CI)(55901-21-8)

Safety Data

• Hazardous Substances Data: 55901-21-8(Hazardous Substances Data)

Upstream product

• 583-39-1 2,3-dihydrobenzimidazol-2-thione 
• 107-08-4 1-iodo-propane 
• 134469-07-1 Benzimidazol-2-thiol 
• 71-23-8 propan-1-ol 
• 106-94-5 propyl bromide 

Relevant articles and documents

Synthesis of novel amides with antiradical capacity from 2-mercaptobenzimidazole and cinnamic acids: Evaluation through donor-acceptor maps and QSAR

The structures of thioethers I-III and the new amidic compounds 1(a-f)-3(a-f) derived from 2-mercaptobenzimidazole (MBZ) and cinnamic acids were confirmed by NMR and elemental analysis. Antioxidant activity was evaluated by 1,1-diphenyl-2-picrylhydrazyl (DPPH●) radical scavenging assay and 2,2-azinobis (3-ethyl benzothiazoline-6-sulfonic acid) ABTS●+ radical cation decolorization method. Besides, donor-acceptor maps (DAM) and electrophilicity were calculated using DFT/B3LYP method with a 6-311G(d,p) basis set. MBZ, I-III and (1a-3a) compounds showed higher activity in vitro antioxidant assays, confirming with in silico studies that they are the best candidates. The findings found in antiradical activity suggest that these compounds could be promising in the development of new antitumor and antimicrobial agents. QSAR Molecular properties and topological descriptors of the synthesized compounds 1(a-f)-3(a-f) were calculated. The QSAR model indicates that the size and molecular shape are relevant for the antiradical activity for this family of compounds.

Synthesis of 2-mercaptobenzothiazole and of 2-mercaptobenzemidazole derivatives using polymer-supported anions

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(Cyanomethyl)trimethylphosphonium iodide as reagent for the intermolecular S-alkylation of thiols with alcohols

Treatment of mixtures of thiols and primary aliphatic alcohols with (cyanomethyl)trimethylphosphonium iodide leads to the clean formation of unsymmetric thioethers. The required phosphonium iodide is simple to prepare and stable towards air and moisture.