Phenol, 3-methoxy-2-(methylthio)-
Basic information
- CAS
33617-66-2- Standard SMILES
COc1cccc(O)c1SC- InChIKey
ORZZILBKVJNLBC-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- Phenol, 3-methoxy-2-(methylthio)-
- IUPAC
- 3-methoxy-2-methylsulfanylphenol
Names & synonyms
Phenol, 3-methoxy-2-(methylthio)-33617-66-23-methoxy-2-methylthio-phenol3-METHOXY-2-(METHYLSULFANYL)PHENOLDTXSID10349215InChI=1/C8H10O2S/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H
Database identifiers
- CAS
33617-66-2- PubChem CID
- 643531
- DTXSID
DTXSID10349215- Nikkaji
- J330.579A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
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Compound notes
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