Basic information
- Standard SMILES
OCCc1nc2cc(Br)ccc2s1- InChIKey
FJIMNGQMCBWDMO-UHFFFAOYSA-N- Molecular formula
- C9H8BrNOS
- Average molar mass
- 258.14 g/mol
- Monoisotopic mass
- 256.95099698
Names & identifiers
- Preferred name
- 5-Bromo-2-benzothiazoleethanol
- IUPAC
- 2-(5-bromo-1,3-benzothiazol-2-yl)ethanol
Names & synonyms
791614-74-95-BROMO-2-BENZOTHIAZOLEETHANOL2-(5-BROMOBENZO[D]THIAZOL-2-YL)ETHANOLSCHEMBL489036FJIMNGQMCBWDMO-UHFFFAOYSA-NDTXSID0013060452-(5-bromo-benzothiazol-2-yl)ethanolAB658982-(5-Bromobenzo[d]thiazol-2-yl)ethan-1-ol2-(5-BROMO-BENZOTHIAZOL-2-YL)-ETHANOL2-(5-BROMO-1,3-BENZOTHIAZOL-2-YL)ETHAN-1-OL
Database identifiers
- CAS
791614-74-9- PubChem CID
- 21980060
- DTXSID
DTXSID001306045
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
20 records
Linked notes
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