Basic information
- CAS
18129-33-4- Standard SMILES
C[N+](C)(C)CCSc1[nH]c2ccccc2[nH+]1.[Br-].[Br-]- InChIKey
KIDCVJGDNQETMO-UHFFFAOYSA-M- Molecular formula
- C12H19Br2N3S
- Average molar mass
- 397.17 g/mol
- Monoisotopic mass
- 394.96664
Names & identifiers
- Preferred name
- Ammonium, (2-(2-benzimidazolylthio)ethyl)trimethyl-, bromide, monohydrobromide
- IUPAC
- 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-trimethylazanium dibromide
Names & synonyms
18129-33-42-(2'-Trimethylaminoethylthio)benzimidazoline bromide hydrobromide(2-(2-Benzimidazolylthio)ethyl)trimethylammonium bromide hydrobromideAMMONIUM, (2-(2-BENZIMIDAZOLYLTHIO)ETHYL)TRIMETHYL-, BROMIDE, MONOHYDROBROMIDERefChem:318733
Database identifiers
- CAS
18129-33-4- PubChem CID
- 28902
Properties
Computed structural properties
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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