2-[3-(Methylsulfanyl)propyl]phenol
Basic information
- CAS
17733-34-5- Standard SMILES
CSCCCc1ccccc1O- InChIKey
KOERLGDUHCSXBI-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653624
Names & identifiers
- Preferred name
- 2-[3-(Methylsulfanyl)propyl]phenol
- IUPAC
- 2-(3-methylsulfanylpropyl)phenol
Names & synonyms
17733-34-52-[3-(methylsulfanyl)propyl]phenolNSC911722-(3-(methylthio)propyl)phenolDTXSID80293650NSC-91172
Database identifiers
- CAS
17733-34-5- PubChem CID
- 260201
- DTXSID
DTXSID80293650
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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