Basic information
- CAS
52831-58-0- Standard SMILES
Fc1cccc2c1SCc1cc3ccccc3nc1-2- InChIKey
GSQGMINPQXEZNJ-UHFFFAOYSA-N- Molecular formula
- C16H10FNS
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.05179866
Names & identifiers
- Preferred name
- 6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE, 4-FLUORO-
- IUPAC
- 4-fluoro-6H-thiochromeno[4,3-b]quinoline
- English name
- 4-Fluoro-6H-[1]benzothiopyrano[4,3-b]quinoline
- Molecular formula
- C16H10FNS
- Molecular weight
- 267.3207032
Names & synonyms
6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE, 4-FLUORO-4-Fluoro-6H-(1)benzothiopyrano(4,3-b)quinoline52831-58-04-Fluoro-6H-[1]benzothiopyrano[4,3-b]quinolineBRN 4856352DTXSID50200816
Database identifiers
- CAS
52831-58-0- PubChem CID
- 40550
- DTXSID
DTXSID50200816- Nikkaji
- J65.936C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Density
- 1.2757 · 1.2757 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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