Basic information
- CAS
874772-67-5- Standard SMILES
O=Cc1c(-c2ccccc2)nc2sc3cc(C(F)(F)F)ccc3n12- InChIKey
FKKRTSNLRFXPGO-UHFFFAOYSA-N- Molecular formula
- C17H9F3N2OS
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.03876857
Names & identifiers
- Preferred name
- 2-Phenyl-7-(trifluoromethyl)imidazo[2,1-B]benzothiazole-3-carboxaldehyde
- IUPAC
- 2-phenyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
- English name
- BUTTPARK 30\02-99
- Molecular formula
- C17H9F3N2OS
- Molecular weight
- 346.33
Names & synonyms
874772-67-5DB-3652642-PHENYL-7-(TRIFLUOROMETHYL)IMIDAZO[2,1-B]BENZOTHIAZOLE-3-CARBOXALDEHYDEBUTTPARK 30\02-99Imidazo[2,1-b]benzothiazole-3-carboxaldehyde, 2-phenyl-7-(trifluoromethyl)-
Database identifiers
- CAS
874772-67-5- PubChem CID
- 118855881
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Chemistry & industry
Suppliers1 total
BUTTPARK[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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