Basic information
- Standard SMILES
O=C1C(=Cc2ccccc2)CSCC1=Cc1ccccc1- InChIKey
QVYZIRHMCZTVNT-UHFFFAOYSA-N- Molecular formula
- C19H16OS
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.0921863
Names & identifiers
- Preferred name
- tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one
- IUPAC
- 3,5-dibenzylidenethian-4-one
Names & synonyms
SCHEMBL11504568QVYZIRHMCZTVNT-UHFFFAOYSA-Ntetrahydro-3,5-bis (phenylmethylene)-4h-thiopyran-4-onetetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-oneTetrahydro-3,5-bis-(phenylmethylene)-4H-thiopyran-4-one
Database identifiers
- PubChem CID
- 336779
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
8 records
Compound notes
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