Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C1C2=C(CCCC2)C(S)N1c1ccc(Cl)cc1F- InChIKey
LGXOCUVYLLRNTE-UHFFFAOYSA-N- Molecular formula
- C14H13ClFNOS
- Average molar mass
- 297.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-mercapto-1H-isoindol-1-one
- IUPAC
- 2-(4-chloro-2-fluorophenyl)-3-sulfanyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
Names & synonyms
SCHEMBL11184639LGXOCUVYLLRNTE-UHFFFAOYSA-N2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-mercapto-1H-isoindol 1-one2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-mercapto-1H-isoindol-1-one2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-mercapto-1H-isoindole-1-on
Database identifiers
- PubChem CID
- 13257592
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Related reactions
11 records
Compound notes
Loading…