6-Bromo-2-phenylimidazo[2,1-b]benzothiazole
Basic information
- CAS
157645-55-1- Standard SMILES
Brc1ccc2sc3nc(-c4ccccc4)cn3c2c1- InChIKey
UPVOWZONSSSGJX-UHFFFAOYSA-N- Molecular formula
- C15H9BrN2S
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 327.96698
Names & identifiers
- Preferred name
- 6-Bromo-2-phenylimidazo[2,1-b]benzothiazole
- IUPAC
- 7-bromo-2-phenylimidazo[2,1-b][1,3]benzothiazole
- English name
- 6-Bromo-2-phenylimidazo[2,1-b]benzothiazole
- Molecular formula
- C15H9BrN2S
- Molecular weight
- 329.21
Names & synonyms
6-bromo-2-phenylimidazo[2,1-b]benzothiazole157645-55-1DTXSID4012606036-bromo-2-phenylimidazo[2,1-b][1,3]benzothiazoleImidazo[2,1-b]benzothiazole, 6-bromo-2-phenyl-
Database identifiers
- CAS
157645-55-1- PubChem CID
- 97545995
- DTXSID
DTXSID401260603
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 455.6 · 455.6±45.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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