2-Mercapto-6-(trifluoromethyl)phenol
Basic information
- CAS
2382876-05-1- Standard SMILES
Oc1c(S)cccc1C(F)(F)F- InChIKey
NZEYYFHRSYOSHR-UHFFFAOYSA-N- Molecular formula
- C7H5F3OS
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.00132044
Names & identifiers
- Preferred name
- 2-Mercapto-6-(trifluoromethyl)phenol
- IUPAC
- 2-sulfanyl-6-(trifluoromethyl)phenol
Names & synonyms
DTXSID4013840252-Mercapto-6-(trifluoromethyl)phenol2382876-05-1
Database identifiers
- CAS
2382876-05-1- PubChem CID
- 177845331
- DTXSID
DTXSID401384025
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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