1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium

C10H8N2OS2 — CID 14809781

IUPAC1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium
SMILES[O-][n+]1ccccc1SSc1ccccn1
InChIInChI=1S/C10H8N2OS2/c13-12-8-4-2-6-10(12)15-14-9-5-1-3-7-11-9/h1-8H
InChIKeyUQAZNERBRJNJEJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.51
Rot. Bonds3

About 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium

1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium (PubChem CID 14809781) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium.

Molecular Properties

Compound Name1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium
PubChem CID14809781
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium
SMILES[O-][n+]1ccccc1SSc1ccccn1
InChIInChI=1S/C10H8N2OS2/c13-12-8-4-2-6-10(12)15-14-9-5-1-3-7-11-9/h1-8H
InChIKeyUQAZNERBRJNJEJ-UHFFFAOYSA-N
XLogP2.51
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium?
The IUPAC name of 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium (CID 14809781) is 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium.
What is the SMILES notation for 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium?
The canonical SMILES for 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium is [O-][n+]1ccccc1SSc1ccccn1.
What is the InChIKey of 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium?
The InChIKey is UQAZNERBRJNJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS2/c13-12-8-4-2-6-10(12)15-14-9-5-1-3-7-11-9/h1-8H.
What are the key properties of 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium?
1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium has a molecular weight of 236.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-(pyridin-2-yldisulfanyl)pyridin-1-ium is sourced from PubChem (CID 14809781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).