2-{[(Oxolan-2-yl)methyl]sulfanyl}phenol
Basic information
- CAS
67910-51-4- Standard SMILES
Oc1ccccc1SCC1CCCO1- InChIKey
PWWDYMQDFSMGQY-UHFFFAOYSA-N- Molecular formula
- C11H14O2S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.07145086
Names & identifiers
- Preferred name
- 2-{[(Oxolan-2-yl)methyl]sulfanyl}phenol
- IUPAC
- 2-(oxolan-2-ylmethylsulfanyl)phenol
Names & synonyms
67910-51-42-{[(Oxolan-2-yl)methyl]sulfanyl}phenolDTXSID60497553AKOS011274720
Database identifiers
- CAS
67910-51-4- PubChem CID
- 12423005
- DTXSID
DTXSID60497553
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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