Basic information
- CAS
46954-71-6- Standard SMILES
Brc1ccc(-c2csc3sc4ccccc4[n+]23)cc1- InChIKey
UBEHLTYWQJEUCX-UHFFFAOYSA-N- Molecular formula
- C15H9BrNS2+
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 345.93598
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium
- IUPAC
- 1-(4-bromophenyl)-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium
Names & synonyms
46954-71-6NSC3402421-(4-bromophenyl)-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-iumDTXSID10330961NSC-3402423-(4-Bromophenyl)[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium
Database identifiers
- CAS
46954-71-6- PubChem CID
- 433989
- DTXSID
DTXSID10330961
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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