4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one

C10H8O3S — CID 88698879

IUPAC4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one
SMILESO=C1CC(O)(c2ccccc2)C(=S)O1
InChIInChI=1S/C10H8O3S/c11-8-6-10(12,9(14)13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyCNPPVYUCZVOQRM-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.15
Rot. Bonds1

About 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one

4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one (PubChem CID 88698879) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one
PubChem CID88698879
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one
SMILESO=C1CC(O)(c2ccccc2)C(=S)O1
InChIInChI=1S/C10H8O3S/c11-8-6-10(12,9(14)13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyCNPPVYUCZVOQRM-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one?
The IUPAC name of 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one (CID 88698879) is 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one.
What is the SMILES notation for 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one?
The canonical SMILES for 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one is O=C1CC(O)(c2ccccc2)C(=S)O1.
What is the InChIKey of 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one?
The InChIKey is CNPPVYUCZVOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c11-8-6-10(12,9(14)13-8)7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one?
4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one is sourced from PubChem (CID 88698879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).