Basic information
- CAS
19436-57-8- Standard SMILES
O=c1cc(-c2ccccc2)sc(O)c1Cc1ccc(Cl)cc1- InChIKey
PTRPREDJTQIMRZ-UHFFFAOYSA-N- Molecular formula
- C18H13ClO2S
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.0324785
Names & identifiers
- Preferred name
- 3-((4-Chlorophenyl)methyl)-2-hydroxy-6-phenyl-4H-thiopyran-4-one
- IUPAC
- 3-[(4-chlorophenyl)methyl]-2-hydroxy-6-phenylthiopyran-4-one
Names & synonyms
19436-57-8DTXSID109411723-((4-Chlorophenyl)methyl)-2-hydroxy-6-phenyl-4H-thiopyran-4-one3-[(4-Chlorophenyl)methyl]-2-hydroxy-6-phenyl-4H-thiopyran-4-oneRefChem:1066303DTXCID9013696163-Chlorbenzyl-4-hydroxy-6-phenyl-thia-alpha-pyron [German]3-(p-Chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-2-one2H-Thiopyran-2-one, 3-(p-chlorobenzyl)-4-hydroxy-2-oxo-6-phenyl-3-Chlorbenzyl-4-hydroxy-6-phenyl-thia-alpha-pyron
Database identifiers
- CAS
19436-57-8- PubChem CID
- 209201
- DTXSID
DTXSID10941172
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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