1-Benzothiophene-2,3-diol
Basic information
- CAS
191031-02-4- Standard SMILES
Oc1sc2ccccc2c1O- InChIKey
NAIWWWQDHYGJOQ-UHFFFAOYSA-N- Molecular formula
- C8H6O2S
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.0088506
Names & identifiers
- Preferred name
- 1-Benzothiophene-2,3-diol
- IUPAC
- 1-benzothiophene-2,3-diol
Names & synonyms
191031-02-41-Benzothiophene-2,3-diolDTXSID90592545RefChem:227822DTXCID80543309Benzo[b]thiophene-2,3-dioldihydroxy-benzothiopheneSCHEMBL6503590SCHEMBL18445970
Database identifiers
- CAS
191031-02-4- PubChem CID
- 18171850
- DTXSID
DTXSID90592545- Nikkaji
- J1.614.323E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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