2-Hydroxy-1-[4-methylthiophenyl]ethanone
Basic information
- CAS
197240-28-1- Standard SMILES
CSc1ccc(C(=O)CO)cc1- InChIKey
AXSNYAOTULAPDY-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Names & identifiers
- Preferred name
- 2-Hydroxy-1-[4-methylthiophenyl]ethanone
- IUPAC
- 2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
Names & synonyms
SCHEMBL6302968AXSNYAOTULAPDY-UHFFFAOYSA-NDTXSID401264598AKOS011305897197240-28-12-hydroxy-1-[4-methylthiophenyl]ethanone2-Hydroxy-1-[4-(methylthio)phenyl]ethanone2-Hydroxy-1-[4-(methylsulfanyl)phenyl]ethan-1-one
Database identifiers
- CAS
197240-28-1- PubChem CID
- 62029702
- DTXSID
DTXSID401264598
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
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Related reactions
1 records
Compound notes
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