Basic information
- CAS
63991-50-4- Standard SMILES
C[NH+](C)CCSc1[nH]c2ccccc2[nH+]1.[Cl-].[Cl-]- InChIKey
LMADQPUJCCXCPV-UHFFFAOYSA-N- Molecular formula
- C11H17Cl2N3S
- Average molar mass
- 294.2 g/mol
- Monoisotopic mass
- 293.0520241
Names & identifiers
- Preferred name
- Benzimidazole, 2-(2-(dimethylamino)ethylthio)-, dihydrochloride
- IUPAC
- 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride
Names & synonyms
USAF EL-562-(2-(Dimethylamino)ethylthio)benzimidazole dihydrochloride2-(2'-Dimethylaminoethylmercapto)benzimidazole dihydrochlorideBenzimidazole, 2-(2'-dimethylaminoethylmercapto)-, dihydrochlorideBENZIMIDAZOLE, 2-(2-(DIMETHYLAMINO)ETHYLTHIO)-, DIHYDROCHLORIDERefChem:32585963991-50-4
Database identifiers
- CAS
63991-50-4- PubChem CID
- 46283
Properties
Computed structural properties
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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