2-(1,3-Benzothiazol-2-yl)-4,6-dibromophenol
Basic information
- CAS
90481-38-2- Standard SMILES
Oc1c(Br)cc(Br)cc1-c1nc2ccccc2s1- InChIKey
FWKHLHXATSAQBY-UHFFFAOYSA-N- Molecular formula
- C13H7Br2NOS
- Average molar mass
- 385.08 g/mol
- Monoisotopic mass
- 382.86151
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-yl)-4,6-dibromophenol
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol
Names & synonyms
2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol2-(2-Benzothiazolyl)-4,6-dibromophenol90481-38-2SCHEMBL7197008CHEMBL1356622SCHEMBL30471834DTXSID301282808HMS1795G01AKOS001483367(6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dibromocyclohexa-2,4-dien-1-oneNCGC00098096-01AE-848/36200042
Show more names
SR-01000389596SR-01000389596-1
Database identifiers
- CAS
90481-38-2- PubChem CID
- 3917490
- DTXSID
DTXSID301282808- ChEMBL
CHEMBL1356622- Nikkaji
- J3.715.947F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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