Basic information
- CAS
647857-17-8- Standard SMILES
COc1ccc(CO)cc1SC(F)(F)F- InChIKey
HWMUSXZYZCDORA-UHFFFAOYSA-N- Molecular formula
- C9H9F3O2S
- Average molar mass
- 238.23 g/mol
- Monoisotopic mass
- 238.02753519
Names & identifiers
- Preferred name
- {4-Methoxy-3-[(trifluoromethyl)sulfanyl]phenyl}methanol
- IUPAC
- [4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methanol
Names & synonyms
{4-methoxy-3-[(trifluoromethyl)sulfanyl]phenyl}methanol647857-17-8[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methanolSCHEMBL3546549DTXSID80738793HWMUSXZYZCDORA-UHFFFAOYSA-NEN300-77135
Database identifiers
- CAS
647857-17-8- PubChem CID
- 68684875
- DTXSID
DTXSID80738793
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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