2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide
Basic information
- CAS
36275-22-6- Standard SMILES
S=C(CC1=NCC[NH2+]1)c1ccc(Cl)cc1.[Br-]- InChIKey
JVAJEOUUEOQVID-UHFFFAOYSA-N- Molecular formula
- C11H12BrClN2S
- Average molar mass
- 319.65 g/mol
- Monoisotopic mass
- 317.95931
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide
- IUPAC
- 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-yl)ethanethione bromide
Names & synonyms
2-IMIDAZOLINE, 2-(p-CHLOROPHENACYLTHIO)-, HYDROBROMIDE36275-22-6RefChem:10634942-(p-Chlorophenacylthio)-2-imidazolinium bromide
Database identifiers
- CAS
36275-22-6- PubChem CID
- 37412
Properties
Computed structural properties
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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