1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium

C10H8N2O2S2 — CID 3109

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IUPAC1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
SMILES[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
InChIKeyZHDBTKPXEJDTTQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.75
Rot. Bonds3

About 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium (PubChem CID 3109) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium.

Molecular Properties

Compound Name1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
PubChem CID3109
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
SMILES[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
InChIKeyZHDBTKPXEJDTTQ-UHFFFAOYSA-N
XLogP1.75
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.75
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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Related Compounds

Pyrithione Zinc
CID 26041
2,2'-Dipyridyl disulfide
CID 65093
Dipyridinium dichromate
CID 159879
4,4'-Dithiodipyridine
CID 75846
2,2'-Dithiobis(5-nitropyridine)
CID 16474
2-(Methyldithio)Pyridine-N-Oxide
CID 13386157
2-((Methylthiomethyl)Dithio)Pyridine-N-Oxide
CID 45267926
4,4'-Dipyridyl Sulfide
CID 604650
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(N-Oxide-2-pyridylthio)pyridine-3-sulfonamide
CID 46703924
Bis(3-pyridinyl)mercury
CID 30242
Bispyrithione Magsulfex
CID 11954309

Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium?
The IUPAC name of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium (CID 3109) is 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium.
What is the SMILES notation for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium?
The canonical SMILES for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium is [O-][n+]1ccccc1SSc1cccc[n+]1[O-].
What is the InChIKey of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium?
The InChIKey is ZHDBTKPXEJDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H.
What are the key properties of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium?
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium has a molecular weight of 252.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium is sourced from PubChem (CID 3109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).