6-(4-Methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Basic information
- CAS
82588-42-9- Standard SMILES
Cc1ccc(-c2nc3sccn3c2C=O)cc1- InChIKey
NUEBUPJVOGWDTQ-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.05138412
Names & identifiers
- Preferred name
- 6-(4-Methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- IUPAC
- 6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-(4-Methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- Molecular formula
- C13H10N2OS
- Molecular weight
- 242.3
Names & synonyms
82588-42-96-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde6-(p-Tolyl)imidazo[2,1-b]thiazole-5-carbaldehyde6-p-tolyl imidazo[2,1-b]thiazole-5-carbaldehydeMFCD034257236-p-Tolyl-imidazo[2,1-b]thiazole-5-carbaldehydeNSC332725SCHEMBL22633809DTXSID60318572SBB099595STK712950AKOS001746901
Show more names
5-Formyl-6-p-tolylimidazothiazoleImidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(4-methylphenyl)-
NSC-332725DB-056638SR-0100009144612R-0276SR-01000091446-16-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole -5-carbaldehyde6-(4-methylphenyl)imidazo[2,1-b]1,3-thiazoline-5-carbaldehyde
Database identifiers
- CAS
82588-42-9- PubChem CID
- 333017
- DTXSID
DTXSID60318572
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 291
Physicochemical properties
- Melting point
- 167 · 167-169°C
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.40(Predicted)
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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