3-Phenyl-2,3-dihydro-4H-1-benzothiopyran-4-one
Basic information
- CAS
35814-28-9- Standard SMILES
O=C1c2ccccc2SCC1c1ccccc1- InChIKey
PIDNYUZTTLQVDW-UHFFFAOYSA-N- Molecular formula
- C15H12OS
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.06088618
Names & identifiers
- Preferred name
- 3-Phenyl-2,3-dihydro-4H-1-benzothiopyran-4-one
- IUPAC
- 3-phenyl-2,3-dihydrothiochromen-4-one
Names & synonyms
35814-28-9DTXSID003087553-Phenyl-2,3-dihydro-4H-1-benzothiopyran-4-oneRefChem:281714DTXCID70259881thioisoflavanoneNSC2088553-Phenylthiochroman-4-oneNSC-208855DS-014351
Database identifiers
- CAS
35814-28-9- PubChem CID
- 308181
- DTXSID
DTXSID00308755
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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