Basic information
- Standard SMILES
O=C(O)c1ccc(C(F)(F)F)cc1Sc1ccccc1- InChIKey
POLOMUFYERCVLX-UHFFFAOYSA-N- Molecular formula
- C14H9F3O2S
- Average molar mass
- 298.28 g/mol
Names & identifiers
- Preferred name
- 2-Phenylsulphenyl-4-trifluoromethylbenzoic acid
- IUPAC
- 2-phenylsulfanyl-4-(trifluoromethyl)benzoic acid
Names & synonyms
SCHEMBL8108703POLOMUFYERCVLX-UHFFFAOYSA-N2-phenylsulphenyl-4-trifluoromethylbenzoic acid2-(phenylsulphenyl)-4-trifluoromethylbenzoic acid
Database identifiers
- PubChem CID
- 18977940
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
8 records
Compound notes
Loading…