Basic information
- CAS
52831-35-3- Standard SMILES
Fc1ccc2c(c1)-c1nc3ccccc3cc1CS2- InChIKey
ZLWPFURXNGGUPR-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, 2-FLUORO-
- IUPAC
- 2-fluoro-6H-thiochromeno[4,3-b]quinoline
Names & synonyms
6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE, 2-FLUORO-52831-35-32-Fluoro-6H-(1)benzothiopyrano(4,3-b)quinoline2-Fluoro-6H-[1]benzothiopyrano[4,3-b]quinolineBRN 4856351DTXSID40200805
Database identifiers
- CAS
52831-35-3- PubChem CID
- 40545
- DTXSID
DTXSID40200805- Nikkaji
- J67.811B
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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