6-Methyl-2-phenyl-1-benzothiopyran-1,1,4-trione
Basic information
- CAS
6948-57-8- Standard SMILES
Cc1ccc2c(c1)C(=O)C=C(c1ccccc1)S2(=O)=O- InChIKey
CICRGFFOMNSRGM-UHFFFAOYSA-N- Molecular formula
- C16H12O3S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.05071541
Names & identifiers
- Preferred name
- 6-Methyl-2-phenyl-1-benzothiopyran-1,1,4-trione
- IUPAC
- 6-methyl-1,1-dioxo-2-phenylthiochromen-4-one
Names & synonyms
6948-57-8NSC55789NCIOpen2_0020366-Methyl-2-phenyl-1-benzothiopyran-1,1,4-trioneDTXSID10288418NSC-557896-Methyl-2-phenyl-1lambda~6~-benzothiopyran-1,1,4-trione
Database identifiers
- CAS
6948-57-8- PubChem CID
- 244692
- DTXSID
DTXSID10288418
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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