Ethanone, 1-(3-bromo-4-methoxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
Basic information
- CAS
160518-35-4- Standard SMILES
COc1ccc(C(=O)CSC2=NCCN2)cc1Br.Cl- InChIKey
BOAIJWPVMGQYCO-UHFFFAOYSA-N- Molecular formula
- C12H14BrClN2O2S
- Average molar mass
- 365.67 g/mol
- Monoisotopic mass
- 363.96479
Names & identifiers
- Preferred name
- Ethanone, 1-(3-bromo-4-methoxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
- IUPAC
- 1-(3-bromo-4-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride
Names & synonyms
Ethanone, 1-(3-bromo-4-methoxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochlorideAcetophenone, 3'-bromo-2-(2-imidazolin-2-ylthio)-4'-methoxy-, monohydrochloride160518-35-4DTXSID30166901RefChem:341131DTXCID10893921-(3-Bromo-4-methoxyphenyl)-2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
160518-35-4- PubChem CID
- 3074640
- DTXSID
DTXSID30166901
Properties
Computed structural properties
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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