Basic information
- Standard SMILES
CC1=CC(=O)C=C(SCCO)C1=O- InChIKey
ZWTVNBSDKCPYAX-UHFFFAOYSA-N- Molecular formula
- C9H10O3S
- Average molar mass
- 198.24 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxyethylthio-6-methyl-1,4-benzoquinone
- IUPAC
- 2-(2-hydroxyethylsulfanyl)-6-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL7897068ZWTVNBSDKCPYAX-UHFFFAOYSA-N2-hydroxyethylthio-6-methyl-1,4-benzoquinone
Database identifiers
- PubChem CID
- 54570296
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 302
Related reactions
1 records
Compound notes
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