Basic information
- Standard SMILES
OC1CC(c2nc3ccc(Br)cc3s2)C1- InChIKey
MDXWDHSTMBYWFX-UHFFFAOYSA-N- Molecular formula
- C11H10BrNOS
- Average molar mass
- 284.17 g/mol
Names & identifiers
- Preferred name
- Cis-3-(6-Bromo-benzothiazol-2-yl)-cyclobutanol
- IUPAC
- 3-(6-bromo-1,3-benzothiazol-2-yl)cyclobutan-1-ol
Names & synonyms
SCHEMBL1744117SCHEMBL1744120MDXWDHSTMBYWFX-WRXNHJIOSA-NCis-3-(6-Bromo-benzothiazol-2-yl)-cyclobutanol
Database identifiers
- PubChem CID
- 67145447
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
5 records
Compound notes
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