2-[(Ethylsulfanyl)methyl]phenol
Basic information
- CAS
65370-06-1- Standard SMILES
CCSCc1ccccc1O- InChIKey
QZBBPVLBIUUYRH-UHFFFAOYSA-N- Molecular formula
- C9H12OS
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.06088618
Overview
2-[(ethylsulfanyl)methyl]phenol is an organic sulfide and a member of phenols. It is functionally related to an o-cresol.
Names & identifiers
- Preferred name
- 2-[(Ethylsulfanyl)methyl]phenol
- IUPAC
- 2-(ethylsulfanylmethyl)phenol
- English name
- alpha-(ethylthio)-o-cresol
- Molecular formula
- C9H12OS
- Molecular weight
- 168.26
Names & synonyms
2-[(Ethylsulfanyl)methyl]phenol65370-06-1alpha-(Ethylthio)-o-cresol2-(ethylsulfanylmethyl)phenolEthyl 2-hydroxybenzyl sulfide2-[(ethylthio)methyl]phenol2-((Ethylthio)methyl)phenolPhenol, 2-[(ethylthio)methyl]-2-ETHYLTHIOMETHYLPHENOLEINECS 265-720-1starbld00310602-ethylthiomethyl-phenol
Show more names
α-(ethylthio)-o-cresol2-Ethylthiomethyl phenol Solution2-Ethylthiomethyl phenol Solution in Methanol
SCHEMBL9511130CHEBI:38487DTXSID409839842-[(Ethylsulfanyl)methyl]phenol #AKOS006277902NS00056179Q27117876
Database identifiers
- CAS
65370-06-1- PubChem CID
- 522167
- DTXSID
DTXSID40983984- ChEBI
CHEBI:38487- EC Number
- 265-720-1
- Nikkaji
- J307.383A
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[(ethylsulfanyl)methyl]phenol is an organic sulfide and a member of phenols. It is functionally related to an o-cresol.
Related reactions
9 records
Compound notes
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