Basic information
- Standard SMILES
COC(=O)c1cc(C(F)(F)F)ccc1SCc1ccc(OC)cc1- InChIKey
KPWRBYKFJRUAMK-UHFFFAOYSA-N- Molecular formula
- C17H15F3O3S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.0694
Names & identifiers
- Preferred name
- Methyl 2-(p-methoxybenzylthio)-5-trifluoromethylbenzoate
- IUPAC
- methyl 2-[(4-methoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoate
Names & synonyms
methyl 2-(p-methoxybenzylthio)-5-trifluoromethylbenzoateSCHEMBL10740889
Database identifiers
- PubChem CID
- 20205034
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
3 records
Compound notes
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