Completing data — usually done within a minute
Basic information
- CAS
60086-26-2- Standard SMILES
CSc1ccc2c(c1)C(O)(C1CCN(C)CC1)c1ccccc1O2- InChIKey
DJJMFRAFECOOBU-UHFFFAOYSA-N- Molecular formula
- C20H23NO2S
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.14494998
Names & identifiers
- Preferred name
- 9-(1-Methylpiperidin-4-YL)-2-(methylsulfanyl)-9H-xanthen-9-OL
- IUPAC
- 9-(1-methylpiperidin-4-yl)-2-methylsulfanylxanthen-9-ol
Names & synonyms
60086-26-2DTXSID408223699-(1-METHYLPIPERIDIN-4-YL)-2-(METHYLSULFANYL)-9H-XANTHEN-9-OL
Database identifiers
- CAS
60086-26-2- PubChem CID
- 71401142
- DTXSID
DTXSID40822369
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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