Basic information
- Standard SMILES
O=S1C=Nc2ccc(CCBr)cc21- InChIKey
KWJYLSMUUIXRBO-UHFFFAOYSA-N- Molecular formula
- C9H8BrNOS
- Average molar mass
- 258.14 g/mol
Names & identifiers
- Preferred name
- 6-(2-Bromoethyl)benzothiazolone
- IUPAC
- 6-(2-bromoethyl)-1,3-benzothiazole 1-oxide
Names & synonyms
SCHEMBL48826976-(2-bromoethyl)benzothiazoloneKWJYLSMUUIXRBO-UHFFFAOYSA-N6-(2-BROMOETHYL)BENZOTHIAZOLINONE
Database identifiers
- PubChem CID
- 69227973
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
11 records
Compound notes
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