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

C10H8Cl2MgN2O2S2 — CID 21321249

IUPACmagnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2S2.2ClH.Mg/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyGNZTUCUMWXEHQC-UHFFFAOYSA-L
MW347.53 g/mol
LogP-4.62
Rot. Bonds3

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

magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride (PubChem CID 21321249) has the molecular formula C10H8Cl2MgN2O2S2 and a molecular weight of 347.53 g/mol. Its IUPAC name is magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride.

Molecular Properties

Compound Namemagnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride
PubChem CID21321249
Molecular FormulaC10H8Cl2MgN2O2S2
Molecular Weight347.53 g/mol
Exact Mass345.93
IUPAC Namemagnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2S2.2ClH.Mg/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyGNZTUCUMWXEHQC-UHFFFAOYSA-L
XLogP-4.62
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 5-4.62
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 magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride?
The IUPAC name of magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride (CID 21321249) is magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride.
What is the SMILES notation for magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride?
The canonical SMILES for magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride is [Cl-].[Cl-].[Mg+2].[O-][n+]1ccccc1SSc1cccc[n+]1[O-].
What is the InChIKey of magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride?
The InChIKey is GNZTUCUMWXEHQC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2O2S2.2ClH.Mg/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;;/h1-8H;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride?
magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride has a molecular weight of 347.53 g/mol, XLogP of -4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride is sourced from PubChem (CID 21321249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).