9H-benzo[f][2]benzothiol-4-one
Basic information
- CAS
31926-65-5- Standard SMILES
O=C1c2ccccc2Cc2cscc21- InChIKey
CFKSUNGEUQWVLF-UHFFFAOYSA-N- Molecular formula
- C12H8OS
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.02958605
Names & identifiers
- Preferred name
- 9H-benzo[f][2]benzothiol-4-one
- IUPAC
- 9H-benzo[f][2]benzothiol-4-one
Names & synonyms
31926-65-59H-benzo[f][2]benzothiol-4-oneNSC241146DTXSID40330292Naphtho[2,3-c]thiophen-4(9H)-oneNSC-241146
Database identifiers
- CAS
31926-65-5- PubChem CID
- 428638
- DTXSID
DTXSID40330292- Nikkaji
- J2.301.409B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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