1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one

C4H5NO2S2 — CID 123264799

IUPAC1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1SS
InChIInChI=1S/C4H5NO2S2/c6-3-1-2-4(7)5(3)9-8/h1-3,6,8H
InChIKeyZVCZWMYYQZVDEZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds1

About 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one

1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one (PubChem CID 123264799) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one
PubChem CID123264799
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1SS
InChIInChI=1S/C4H5NO2S2/c6-3-1-2-4(7)5(3)9-8/h1-3,6,8H
InChIKeyZVCZWMYYQZVDEZ-UHFFFAOYSA-N
XLogP0.20
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one (CID 123264799) is 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1SS.
What is the InChIKey of 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is ZVCZWMYYQZVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c6-3-1-2-4(7)5(3)9-8/h1-3,6,8H.
What are the key properties of 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one?
1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 163.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 123264799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).