8-Methoxy-2-phenylthiochromen-4-one

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Basic information

CAS: 70354-12-0
Standard SMILES: COc1cccc2c(=O)cc(-c3ccccc3)sc12
InChIKey: SISLZJZWQLUIKD-UHFFFAOYSA-N
Molecular formula: C16H12O2S
Average molar mass: 268.3 g/mol
Monoisotopic mass: 268.05580079

Names & identifiers

Preferred name: 8-Methoxy-2-phenylthiochromen-4-one
IUPAC: 8-methoxy-2-phenylthiochromen-4-one

Names & synonyms

8-methoxy-2-phenylthiochromen-4-one70354-12-0NSC364541DTXSID80320798NSC-364541DS-0053698-Methoxy-2-phenyl-4H-1-benzothiopyran-4-one4H-1-BENZOTHIOPYRAN-4-ONE,8-METHOXY-2-PHENYL-

Database identifiers

CAS: 70354-12-0
PubChem CID: 339189
DTXSID: DTXSID80320798
Nikkaji: J466.219I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 371

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Compound notes

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