6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Basic information
- CAS
451485-66-8- Standard SMILES
O=Cc1c(-c2ccc(Br)cc2)nc2sccn12- InChIKey
DERSRCNYCMEQSR-UHFFFAOYSA-N- Molecular formula
- C12H7BrN2OS
- Average molar mass
- 307.17 g/mol
- Monoisotopic mass
- 305.94625
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- IUPAC
- 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-(4-BROMOPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE
- Molecular formula
- C12H7BrN2OS
- Molecular weight
- 307.17
Names & synonyms
451485-66-86-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde6-(4-bromophenyl)imidazo[2,1-b]thiazole-5-carbaldehydeMFCD002687386-(4-bromophenyl)imidazo[2,1-b]thiazole-5-carboxaldehyde6-(4-Bromo-phenyl)-imidazo[2,1-b]thiazole-5-carboxaldehyde6-(4-bromo-phenyl)-imidazo[2,1-b]thiazole-5-carbaldehydeSCHEMBL4771368BUTTPARK 1\01-96DTXSID70351879AKOS001746987SY490784
Show more names
CS-0327255G666313T-0286F015655SR-01000091448SR-01000091448-1Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(4-bromophenyl)-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole -5-carbaldehyde
Database identifiers
- CAS
451485-66-8- PubChem CID
- 712406
- DTXSID
DTXSID70351879
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 188 · 188-190°C
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 2.91 · 2.91±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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