Basic information
- CAS
52831-62-6- Standard SMILES
Fc1cccc2c3nc4ccccc4c-3csc12- InChIKey
CQFSLDBGAGJCEJ-UHFFFAOYSA-N- Molecular formula
- C15H8FNS
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.0361486
Names & identifiers
- Preferred name
- (1)BENZOTHIOPYRANO(4,3-b)INDOLE, 4-FLUORO-
- IUPAC
- 4-fluorothiochromeno[4,3-b]indole
- English name
- 4-Fluoro[1]benzothiopyrano[4,3-b]indole
- Molecular formula
- C15H8FNS
- Molecular weight
- 253.2941232
Names & synonyms
(1)BENZOTHIOPYRANO(4,3-b)INDOLE, 4-FLUORO-52831-62-6BRN 11192344-Fluoro-(1)benzothiopyrano(4,3-b)indoleThiopyrano(4,3-b)benz(e)indole, 4-fluoro-4-Fluoro[1]benzothiopyrano[4,3-b]indoleDTXSID70200818
Database identifiers
- CAS
52831-62-6- PubChem CID
- 40552
- DTXSID
DTXSID70200818- Nikkaji
- J65.935E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Density
- 1.3115 · 1.3115 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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