Basic information
- Standard SMILES
OCc1cc(S)c(O)cn1- InChIKey
UEEKAQZCMVXISZ-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S
- Average molar mass
- 157.19 g/mol
- Monoisotopic mass
- 157.01974964
Names & identifiers
- Preferred name
- 6-(Hydroxymethyl)-4-mercaptopyridin-3-ol
- IUPAC
- 5-hydroxy-2-(hydroxymethyl)-1H-pyridine-4-thione
Names & synonyms
872714-70-06-(Hydroxymethyl)-4-mercaptopyridin-3-ol6-(hydroxymethyl)-4-mercapto-3-pyridinol2-Pyridinemethanol, 5-hydroxy-4-mercapto-6-(HYDROXYMETHYL)-4-SULFANYLPYRIDIN-3-OL5-hydroxy-2-(hydroxymethyl)-1H-pyridine-4-thione6-(Hydroxymethyl)-4-sulfanyl-3-pyridinolSCHEMBL3273181UEEKAQZCMVXISZ-UHFFFAOYSA-NDB-350181
Database identifiers
- PubChem CID
- 68576899
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 220
Related reactions
3 records
Compound notes
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