3-(Phenylthio)-9H-thioxanthen-9-one
Basic information
- CAS
875664-53-2- Standard SMILES
O=c1c2ccccc2sc2cc(Sc3ccccc3)ccc12- InChIKey
OWWABNLPMQUIJP-UHFFFAOYSA-N- Molecular formula
- C19H12OS2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.03295735
Names & identifiers
- Preferred name
- 3-(Phenylthio)-9H-thioxanthen-9-one
- IUPAC
- 3-phenylsulfanylthioxanthen-9-one
Names & synonyms
3-(Phenylthio)-9H-thioxanthen-9-oneSCHEMBL3970032DTXSID3012953223-(Phenylsulfanyl)-9H-thioxanthen-9-one875664-53-2
Database identifiers
- CAS
875664-53-2- PubChem CID
- 57725333
- DTXSID
DTXSID301295322
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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