Basic information
- CAS
225-57-0- Standard SMILES
c1ccc2c(c1)SCc1cc3ccccc3nc1-2- InChIKey
PNSMXZODIXFDRD-UHFFFAOYSA-N- Molecular formula
- C16H11NS
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.06122053
Names & identifiers
- Preferred name
- 6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE
- IUPAC
- 6H-thiochromeno[4,3-b]quinoline
- English name
- 6H-[1]Benzothiopyrano[4,3-b]quinoline
- Molecular formula
- C16H11NS
- Molecular weight
- 249.33
Names & synonyms
6H-[1]Benzothiopyrano[4,3-b]quinoline225-57-06H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINEBRN 0187735DTXSID40177023
Database identifiers
- CAS
225-57-0- PubChem CID
- 9182
- DTXSID
DTXSID40177023- Nikkaji
- J41.936B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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