Basic information
- CAS
5916-51-8- Standard SMILES
CCOc1ccc2nc(SCC)[nH]c2c1.Cl- InChIKey
CDKXGFXNRMGHNY-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2OS
- Average molar mass
- 258.77 g/mol
- Monoisotopic mass
- 258.059362
Names & identifiers
- Preferred name
- 6-Ethoxy-2-(ethylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
- IUPAC
- 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
Names & synonyms
5916-51-8DTXSID904172246-Ethoxy-2-(ethylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)RefChem:308219DTXCID203680735-ethoxy-2-(ethylsulfanyl)-1H-1,3-benzodiazole hydrochloride190911-89-8MLS000523596CHEMBL15690675-ethoxy-2-(ethylthio)-1H-benzo[d]imidazole hydrochlorideAKOS024332742SMR000122669
Show more names
BIM-0037313.P0015-Ethoxy-2-ethylsulfanyl-1H-benzoimidazole5-ethoxy-2ethylthiobenzimidazole hydrochlorideZ567584426-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochlorideF1279-0032ethyl 2-(ethylthio)-1H-benzimidazol-5-yl ether hydrochloride6-Ethoxy-2-(ethylsulfanyl)-1H-1,3-benzimidazole--hydrogen chloride (1/1)
Database identifiers
- CAS
5916-51-8- PubChem CID
- 5344707
- DTXSID
DTXSID90417224- ChEMBL
CHEMBL1569067
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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