6-Bromo-1-(benzothiazole-2-yl)pyrene
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Brc1ccc2ccc3c(-c4nc5ccccc5s4)ccc4ccc1c2c43- InChIKey
RBKXAHSGXWPANM-UHFFFAOYSA-N- Molecular formula
- C23H12BrNS
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-1-(benzothiazole-2-yl)pyrene
- IUPAC
- 2-(6-bromopyren-1-yl)-1,3-benzothiazole
Names & synonyms
SCHEMBL2085007RBKXAHSGXWPANM-UHFFFAOYSA-N6-bromo-1-(benzothiazole-2-yl)pyrene
Database identifiers
- PubChem CID
- 86628596
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
Loading…