Basic information
- Standard SMILES
Oc1ccc(SCc2cc(O)c(O)c(O)c2)cc1- InChIKey
FSXNHDWBUCJUII-UHFFFAOYSA-N- Molecular formula
- C13H12O4S
- Average molar mass
- 264.3 g/mol
Names & identifiers
- Preferred name
- 5-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triol
- IUPAC
- 5-[(4-hydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triol
Names & synonyms
NSC673426SCHEMBL85343755-(((4-Hydroxyphenyl)thio)methyl)-1,2,3-benzenetriol5-[(4-hydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triolCHEMBL2002343FSXNHDWBUCJUII-UHFFFAOYSA-NNSC-673426NCI60_0260023,4,5-trihydroxybenzyl 4-hydroxyphenyl thioether
Database identifiers
- PubChem CID
- 384139
- ChEMBL
CHEMBL2002343
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
1 records
Compound notes
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