Basic information
- CAS
74022-47-2- Standard SMILES
COc1cc2[nH]c(SC)[n+](C)c2cc1OC.[Cl-]- InChIKey
NSNRSKOAIAFKMR-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2S
- Average molar mass
- 274.77 g/mol
- Monoisotopic mass
- 274.0542766
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1-methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
- IUPAC
- 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride
Names & synonyms
74022-47-2RefChem:1072204DTXCID4014223585,6-Dimethoxy-1-methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)DTXSID909953301-Methyl-2-methylthio-5,6-dimethoxybenzimidazole hydrochlorideBENZIMIDAZOLE, 5,6-DIMETHOXY-1-METHYL-2-METHYLTHIO-, HYDROCHLORIDE
Database identifiers
- CAS
74022-47-2- PubChem CID
- 52863
Properties
Computed structural properties
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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