Basic information
- CAS
138335-97-4- Standard SMILES
CSc1nc(Br)c(C(C)=O)n1C- InChIKey
BJOPKSBBPUHLLW-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2OS
- Average molar mass
- 249.13 g/mol
- Monoisotopic mass
- 247.9619
Names & identifiers
- Preferred name
- 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone
- IUPAC
- 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethanone
Names & synonyms
1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)ethanone138335-97-4DTXSID00160597RefChem:225679DTXCID60830881-[4-Bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethan-1-one
Database identifiers
- CAS
138335-97-4- PubChem CID
- 178463
- DTXSID
DTXSID00160597
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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