Basic information
- Standard SMILES
O=c1sc2ccccc2n1CCCBr- InChIKey
MDLGWHHHUXKSNF-UHFFFAOYSA-N- Molecular formula
- C10H10BrNOS
- Average molar mass
- 272.16 g/mol
Names & identifiers
- Preferred name
- 3-(3-bromopropyl)-2(3H)-benzothiazolone
- IUPAC
- 3-(3-bromopropyl)-1,3-benzothiazol-2-one
Names & synonyms
62781-34-4SCHEMBL4057219MDLGWHHHUXKSNF-UHFFFAOYSA-N3-(3-bromopropyl)-2(3H)-benzothiazoloneDB-3654433-(3-BROMOPROPYL)BENZO[D]THIAZOL-2(3H)-ONE
Database identifiers
- PubChem CID
- 21459927
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
6 records
Compound notes
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