Basic information
- Standard SMILES
CCCSc1nc(C(F)(F)F)ccc1C=CC(=O)O- InChIKey
AMASONFYRMUIIT-UHFFFAOYSA-N- Molecular formula
- C12H12F3NO2S
- Average molar mass
- 291.29 g/mol
Names & identifiers
- Preferred name
- 3-(2-Propylthio-6-trifluoromethyl-pyridin-3-yl)-acrylic acid
- IUPAC
- 3-[2-propylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
Names & synonyms
3-(2-Propylthio-6-trifluoromethyl-pyridin-3-yl)-acrylic acidSCHEMBL3776850
Database identifiers
- PubChem CID
- 68782000
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
4 records
Compound notes
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