2-Imidazoline, 2-((m-chlorobenzyl)thio)-, monohydrobromide
Basic information
- CAS
7251-54-9- Standard SMILES
Clc1cccc(CSC2=NCC[NH2+]2)c1.[Br-]- InChIKey
RPNXOZVDYCBJRU-UHFFFAOYSA-N- Molecular formula
- C10H12BrClN2S
- Average molar mass
- 307.64 g/mol
- Monoisotopic mass
- 305.95931
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-((m-chlorobenzyl)thio)-, monohydrobromide
- IUPAC
- 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide
Names & synonyms
2-IMIDAZOLINE, 2-((m-CHLOROBENZYL)THIO)-, MONOHYDROBROMIDE7251-54-9RefChem:10634912-((m-Chlorobenzyl)thio)-2-imidazoline monohydrobromideNSC 67444
Database identifiers
- CAS
7251-54-9- PubChem CID
- 23684
Properties
Computed structural properties
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…