Basic information
- CAS
74022-45-0- Standard SMILES
CSc1[nH]c2ccccc2[n+]1C.[Cl-]- InChIKey
BDWNVWAPGIZDKX-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2S
- Average molar mass
- 214.72 g/mol
- Monoisotopic mass
- 214.0331472
Names & identifiers
- Preferred name
- 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
- IUPAC
- 3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride
Names & synonyms
74022-45-0RefChem:1055754DTXCID7014223571-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)DTXSID809953291-Methyl-2-methylthiobenzimidazole hydrochlorideBENZIMIDAZOLE, 1-METHYL-2-METHYLTHIO-, HYDROCHLORIDE
Database identifiers
- CAS
74022-45-0- PubChem CID
- 52861
Properties
Computed structural properties
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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