Basic information
- CAS
52831-46-6- Standard SMILES
Fc1ccc2c(c1)SCc1cc3ccccc3nc1-2- InChIKey
BAOCJTCFNYOWRZ-UHFFFAOYSA-N- Molecular formula
- C16H10FNS
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.05179866
Names & identifiers
- Preferred name
- 3-Fluoro-6H-(1)benzothiopyrano(4,3-b)quinoline
- IUPAC
- 3-fluoro-6H-thiochromeno[4,3-b]quinoline
Names & synonyms
3-Fluoro-6H-(1)benzothiopyrano(4,3-b)quinoline52831-46-66H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE, 3-FLUORO-3-Fluoro-6H-[1]benzothiopyrano[4,3-b]quinolineBRN 4856353DTXSID80200809
Database identifiers
- CAS
52831-46-6- PubChem CID
- 40547
- DTXSID
DTXSID80200809- Nikkaji
- J67.812K
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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