Basic information
- CAS
32188-94-6- Standard SMILES
Br.O=C(CSC1=NCCN1)c1ccccc1- InChIKey
UFGCDDZQIFGJKH-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2OS
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 299.9932
Names & identifiers
- Preferred name
- 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide
Names & synonyms
NSC1603192-((4,5-Dihydro-1H-imidazol-2-yl)thio)-1-phenylethan-1-one hydrobromideNSC-160319starbld0022044CHEMBL20031702-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide
Database identifiers
- CAS
32188-94-6- PubChem CID
- 5458345
- ChEMBL
CHEMBL2003170
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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