5-phenyl-3-phenylsulfanyloxolane-2,4-dione

C16H12O3S — CID 91899482

IUPAC5-phenyl-3-phenylsulfanyloxolane-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)C1Sc1ccccc1
InChIInChI=1S/C16H12O3S/c17-13-14(11-7-3-1-4-8-11)19-16(18)15(13)20-12-9-5-2-6-10-12/h1-10,14-15H
InChIKeyULOBAHSSOWMIEZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.01
Rot. Bonds3

About 5-phenyl-3-phenylsulfanyloxolane-2,4-dione

5-phenyl-3-phenylsulfanyloxolane-2,4-dione (PubChem CID 91899482) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-phenyl-3-phenylsulfanyloxolane-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-phenylsulfanyloxolane-2,4-dione
PubChem CID91899482
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name5-phenyl-3-phenylsulfanyloxolane-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)C1Sc1ccccc1
InChIInChI=1S/C16H12O3S/c17-13-14(11-7-3-1-4-8-11)19-16(18)15(13)20-12-9-5-2-6-10-12/h1-10,14-15H
InChIKeyULOBAHSSOWMIEZ-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-phenyl-3-phenylsulfanyloxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzylsulfanyl)-4-hydroxy-6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 53775700
5,6-Dihydro-4-hydroxy-6-phenyl-3-[(2-phenylethyl)thio]-2H-pyran-2-one
CID 54573688
Tetramic acid, 74
CID 91899483
Tetramic acid, 76
CID 91899484
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
CID 11748209
(3R,4R,5S)-3-(4-fluorophenyl)sulfanyl-4-hydroxy-5-phenyloxolan-2-one
CID 46930651
(2-Oxo-1,2-diphenylethyl) 2-thiophen-3-ylacetate
CID 4389459
(2-Oxo-1-phenyl-2-phenylsulfanylethyl) acetate
CID 24972413
[2-(4-Methylphenyl)sulfanyl-2-oxo-1-phenylethyl] acetate
CID 134907614
3-Oxo-4-phenylmethoxy-2-phenylsulfanylbutanal
CID 86145002
s-Phenyl 3-phenyloxirane-2-carbothioate
CID 289622
5-Phenyloxolane-2,4-dione
CID 23273666

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-phenylsulfanyloxolane-2,4-dione?
The IUPAC name of 5-phenyl-3-phenylsulfanyloxolane-2,4-dione (CID 91899482) is 5-phenyl-3-phenylsulfanyloxolane-2,4-dione.
What is the SMILES notation for 5-phenyl-3-phenylsulfanyloxolane-2,4-dione?
The canonical SMILES for 5-phenyl-3-phenylsulfanyloxolane-2,4-dione is O=C1OC(c2ccccc2)C(=O)C1Sc1ccccc1.
What is the InChIKey of 5-phenyl-3-phenylsulfanyloxolane-2,4-dione?
The InChIKey is ULOBAHSSOWMIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c17-13-14(11-7-3-1-4-8-11)19-16(18)15(13)20-12-9-5-2-6-10-12/h1-10,14-15H.
What are the key properties of 5-phenyl-3-phenylsulfanyloxolane-2,4-dione?
5-phenyl-3-phenylsulfanyloxolane-2,4-dione has a molecular weight of 284.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-phenylsulfanyloxolane-2,4-dione is sourced from PubChem (CID 91899482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).