Basic information
- Standard SMILES
OCc1sc(-c2ccc(C(F)(F)F)cc2)cc1CSCc1ccccc1- InChIKey
GCYJKFLJYGQFQY-UHFFFAOYSA-N- Molecular formula
- C20H17F3OS2
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- {3-[(Benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanol
- IUPAC
- [3-(benzylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
Names & synonyms
{3-[(benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanolSCHEMBL5860587
Database identifiers
- PubChem CID
- 21986478
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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