Basic information
- CAS
691883-99-5- Standard SMILES
Cc1ccc(C(=O)C=Cc2c(-c3ccc(Br)cc3)nc3sccn23)cc1- InChIKey
DGGZCDSZQOHULA-UHFFFAOYSA-N- Molecular formula
- C21H15BrN2OS
- Average molar mass
- 423.3 g/mol
Names & identifiers
- Preferred name
- 3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
- IUPAC
- 3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
- English name
- (E)-3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)-2-propen-1-one
- Molecular formula
- C21H15BrN2OS
- Molecular weight
- 423.33
Names & synonyms
2-Propen-1-one, 3-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-5-yl]-1-(4-methylphenyl)-(E)-3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)-2-propen-1-one(2E)-3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
Database identifiers
- CAS
691883-99-5
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Density
- 1.433 · 1.433±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.998 · 3.998±0.40(predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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