Basic information
- Standard SMILES
CSc1ccc(C(=O)c2ccc(F)cc2)[nH]1- InChIKey
PXFMJJJPUBVBGF-UHFFFAOYSA-N- Molecular formula
- C12H10FNOS
- Average molar mass
- 235.28 g/mol
Names & identifiers
- Preferred name
- 2-(Methylthio)-5-(4-fluorobenzoyl)pyrrole
- IUPAC
- (4-fluorophenyl)-(5-methylsulfanyl-1H-pyrrol-2-yl)methanone
Names & synonyms
2-(methylthio)-5-(4-fluorobenzoyl)pyrroleSCHEMBL11056573PXFMJJJPUBVBGF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12915901
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
5 records
Compound notes
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