2-Propen-1-one, 3-[4-(methylthio)phenyl]-1-phenyl-

HCID 620285

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Basic information

CAS: 72344-13-9
Standard SMILES: CSc1ccc(C=CC(=O)c2ccccc2)cc1
InChIKey: COMMOHWAHKXFGL-UHFFFAOYSA-N
Molecular formula: C16H14OS
Average molar mass: 254.3 g/mol
Monoisotopic mass: 254.07653624

Names & identifiers

Preferred name: 2-Propen-1-one, 3-[4-(methylthio)phenyl]-1-phenyl-
IUPAC: 3-(4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one

Names & synonyms

2-Propen-1-one, 3-[4-(methylthio)phenyl]-1-phenyl-72344-13-94-methylsulfanyl chalconeSCHEMBL658201DTXSID10347337COMMOHWAHKXFGL-UHFFFAOYSA-NAKOS0170856703-[4-(methylthio)phenyl]-1-phenylprop-2-en-1-one3-[4-(METHYLSULFANYL)PHENYL]-1-PHENYLPROP-2-EN-1-ONE

Database identifiers

CAS: 72344-13-9
PubChem CID: 620285
DTXSID: DTXSID10347337

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 283

Related reactions

1 records

New reaction record

HRID 1402894As productuspto-grants-2014_12

Compound notes

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