Basic information
- Standard SMILES
CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)cc1CSCc1ccccc1- InChIKey
XZPFHTOUCUIKBV-UHFFFAOYSA-N- Molecular formula
- C22H19F3O2S2
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[(benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
- IUPAC
- ethyl 3-(benzylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Names & synonyms
ethyl 3-[(benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylateSCHEMBL5860725ethyl 3[(benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 21986405
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
4 records
Compound notes
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