Basic information
- Standard SMILES
CC(=O)SCCc1ccc(F)cc1- InChIKey
RNORHZTZTKRDFU-UHFFFAOYSA-N- Molecular formula
- C10H11FOS
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.05146431
Names & identifiers
- Preferred name
- Thioacetic acid S-[2-(4-fluoro-phenyl)-ethyl]ester
- IUPAC
- S-[2-(4-fluorophenyl)ethyl] ethanethioate
Names & synonyms
SCHEMBL978161RNORHZTZTKRDFU-UHFFFAOYSA-NThioacetic acid S-[2-(4-fluoro-phenyl)-ethyl]esterThioacetic acid S-[2-(4-fluoro-phenyl)-ethyl] ester
Database identifiers
- PubChem CID
- 23577239
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
6 records
Compound notes
Loading…