Basic information
- CAS
52831-39-7- Standard SMILES
Fc1ccc2scc3c4ccccc4nc-3c2c1- InChIKey
GRJVFOOYFCIAOV-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, 2-FLUORO-
- IUPAC
- 2-fluorothiochromeno[4,3-b]indole
- English name
- 2-Fluoro[1]benzothiopyrano[4,3-b]indole
- Molecular formula
- C15H8FNS
- Molecular weight
- 253.2941232
Names & synonyms
(1)BENZOTHIOPYRANO(4,3-b)INDOLE, 2-FLUORO-52831-39-7BRN 11192522-Fluoro-(1)benzothiopyrano(4,3-b)indoleThiopyrano(4,3-b)benz(e)indole, 2-fluoro-2-Fluoro[1]benzothiopyrano[4,3-b]indoleDTXSID00200806
Database identifiers
- CAS
52831-39-7- PubChem CID
- 40546
- DTXSID
DTXSID00200806- Nikkaji
- J65.934G
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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