5-benzylidene-4-phenylsulfanylfuran-2-one

C17H12O2S — CID 71338715

IUPAC5-benzylidene-4-phenylsulfanylfuran-2-one
SMILESO=C1C=C(Sc2ccccc2)C(=Cc2ccccc2)O1
InChIInChI=1S/C17H12O2S/c18-17-12-16(20-14-9-5-2-6-10-14)15(19-17)11-13-7-3-1-4-8-13/h1-12H
InChIKeyGNCXXLQBHIIIOE-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.26
Rot. Bonds3

About 5-benzylidene-4-phenylsulfanylfuran-2-one

5-benzylidene-4-phenylsulfanylfuran-2-one (PubChem CID 71338715) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-benzylidene-4-phenylsulfanylfuran-2-one.

Molecular Properties

Compound Name5-benzylidene-4-phenylsulfanylfuran-2-one
PubChem CID71338715
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name5-benzylidene-4-phenylsulfanylfuran-2-one
SMILESO=C1C=C(Sc2ccccc2)C(=Cc2ccccc2)O1
InChIInChI=1S/C17H12O2S/c18-17-12-16(20-14-9-5-2-6-10-14)15(19-17)11-13-7-3-1-4-8-13/h1-12H
InChIKeyGNCXXLQBHIIIOE-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-4-phenylsulfanylfuran-2-one?
The IUPAC name of 5-benzylidene-4-phenylsulfanylfuran-2-one (CID 71338715) is 5-benzylidene-4-phenylsulfanylfuran-2-one.
What is the SMILES notation for 5-benzylidene-4-phenylsulfanylfuran-2-one?
The canonical SMILES for 5-benzylidene-4-phenylsulfanylfuran-2-one is O=C1C=C(Sc2ccccc2)C(=Cc2ccccc2)O1.
What is the InChIKey of 5-benzylidene-4-phenylsulfanylfuran-2-one?
The InChIKey is GNCXXLQBHIIIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17-12-16(20-14-9-5-2-6-10-14)15(19-17)11-13-7-3-1-4-8-13/h1-12H.
What are the key properties of 5-benzylidene-4-phenylsulfanylfuran-2-one?
5-benzylidene-4-phenylsulfanylfuran-2-one has a molecular weight of 280.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-4-phenylsulfanylfuran-2-one is sourced from PubChem (CID 71338715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).