Basic information
- Standard SMILES
CSc1cccc(CCO)c1- InChIKey
VQCONIRHXFFBTF-UHFFFAOYSA-N- Molecular formula
- C9H12OS
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.06088618
Names & identifiers
- Preferred name
- 2-(3-(Methylthio)phenyl)ethanol
- IUPAC
- 2-(3-methylsulfanylphenyl)ethanol
Names & synonyms
1195945-56-22-(3-(Methylthio)phenyl)ethanol2-(3-methylsulfanylphenyl)ethanol3-(Methylthio)phenethyl alcohol2-[3-(methylsulfanyl)phenyl]ethan-1-olMFCD111134832-(3-Methylsulfanyl-phenyl)-ethanolSCHEMBL1561163SCHEMBL5180784VQCONIRHXFFBTF-UHFFFAOYSA-NAKOS006307725SB84882
Show more names
EN300-1634044F398837
Database identifiers
- PubChem CID
- 54538245
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Related reactions
4 records
Compound notes
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