1-(4-Bromophenylsulfonyl)-2-methyl-1H-imidazole
Basic information
- CAS
324776-97-8- Standard SMILES
Cc1nccn1S(=O)(=O)c1ccc(Br)cc1- InChIKey
SPOIIUHBZFJLOA-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O2S
- Average molar mass
- 301.16 g/mol
- Monoisotopic mass
- 299.95681
Names & identifiers
- Preferred name
- 1-(4-Bromophenylsulfonyl)-2-methyl-1H-imidazole
- IUPAC
- 1-(4-bromophenyl)sulfonyl-2-methylimidazole
- English name
- 1-(4-BROMOPHENYLSULFONYL)-2-METHYL-1H-IMIDAZOLE
- Molecular formula
- C10H9BrN2O2S
- Molecular weight
- 301.16
Names & synonyms
324776-97-81-(4-Bromophenylsulfonyl)-2-methyl-1H-imidazole1-((4-Bromophenyl)sulfonyl)-2-methyl-1H-imidazole1-(4-bromophenyl)sulfonyl-2-methylimidazoleMFCD010222471-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole1-[(4-bromophenyl)sulfonyl]-2-methyl-1H-imidazoleCBMicro_000188Cambridge id 5614082Oprea1_489769Oprea1_758285DTXSID30355530
Show more names
1H-Imidazole, 1-[(4-bromophenyl)sulfonyl]-2-methyl-
SMSF0006474AKOS000595962CB01700BS-22603BIM-0000293.P001CS-0206765ST508108321-(4-bromophenyl)sulfonyl-2-methyl-imidazole
Database identifiers
- CAS
324776-97-8- PubChem CID
- 804701
- DTXSID
DTXSID30355530
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 456.1 · 456.1±47.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.37 · 1.37±0.69(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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