2-[(Dodecylsulfanyl)methyl]-1H-3,1-benzimidazol-3-ium chloride

ChemSpider ID: 53625
Molecular Formula: C₂₀H₃₃ClN₂S
Average mass: 369.007385 Da
Monoisotopic mass: 368.205292 Da
Systematic name

2-[(Dodecylsulfanyl)methyl]-1H-3,1-benzimidazol-3-ium chloride
SMILES and InChIs

SMILES:

[Cl-].S(CCCCCCCCCCCC)Cc2[nH+]c1ccccc1n2 Copied

Std. InChI:

InChI=1S/C20H32N2S.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-23-17-20-21-18-14-11-12-15-19(18)22-20;/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,21,22);1H Copied

Std. InChIKey:

BGMLMHZPQAYUAS-UHFFFAOYSA-N Copied
Cite this record
CSID:53625, http://www.chemspider.com/Chemical-Structure.53625.html (accessed 04:29, May 19, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library