Basic information
- Standard SMILES
Oc1cc(O)cc(-c2nc3ccccc3s2)c1- InChIKey
NPQUBEDZZWKJOJ-UHFFFAOYSA-N- Molecular formula
- C13H9NO2S
- Average molar mass
- 243.28 g/mol
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 5-(2-benzothiazolyl)-
- IUPAC
- 5-(1,3-benzothiazol-2-yl)benzene-1,3-diol
Names & synonyms
SCHEMBL124710671,3-benzenediol, 5-(2-benzothiazolyl)-5-(benzo[d]thiazol-2-yl)benzene-1,3-diol5-(1,3-benzothiazol-2-yl)benzene-1,3-diol
Database identifiers
- PubChem CID
- 68279367
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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