diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)

H8N2O12S4 — CID 19430598

IUPACdiazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S=O.O=S=O.[NH4+].[NH4+]
InChIInChI=1S/2H3N.H2O8S2.2O2S/c;;1-9(2,3)7-8-10(4,5)6;2*1-3-2/h2*1H3;(H,1,2,3)(H,4,5,6);;
InChIKeyDDBVDZJVNNZTCM-UHFFFAOYSA-N
MW356.33 g/mol
LogP-2.73
Rot. Bonds3

About diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)

diazanium;sulfonatooxy sulfate;bis(sulfur dioxide) (PubChem CID 19430598) has the molecular formula H8N2O12S4 and a molecular weight of 356.33 g/mol. Its IUPAC name is diazanium;sulfonatooxy sulfate;bis(sulfur dioxide).

Molecular Properties

Compound Namediazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
PubChem CID19430598
Molecular FormulaH8N2O12S4
Molecular Weight356.33 g/mol
Exact Mass355.90
IUPAC Namediazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S=O.O=S=O.[NH4+].[NH4+]
InChIInChI=1S/2H3N.H2O8S2.2O2S/c;;1-9(2,3)7-8-10(4,5)6;2*1-3-2/h2*1H3;(H,1,2,3)(H,4,5,6);;
InChIKeyDDBVDZJVNNZTCM-UHFFFAOYSA-N
XLogP-2.73
TPSA274.14 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.33
LogP ≤ 5-2.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

strontium sulfonatooxy sulfate
CID 21114005
dicalcium sulfonatooxy sulfate
CID 159780487
dipotassium;sulfonatooxy sulfate
CID 516926
lithium;potassium;sulfonatooxy sulfate
CID 175555490
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
disodium;azane;sulfonatooxy sulfate
CID 174725660
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
oxidooxy sulfate
CID 135037388
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
diazanium;sulfooxy sulfate;acetate
CID 140672983
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794

Frequently Asked Questions

What is the IUPAC name of diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)?
The IUPAC name of diazanium;sulfonatooxy sulfate;bis(sulfur dioxide) (CID 19430598) is diazanium;sulfonatooxy sulfate;bis(sulfur dioxide).
What is the SMILES notation for diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)?
The canonical SMILES for diazanium;sulfonatooxy sulfate;bis(sulfur dioxide) is O=S(=O)([O-])OOS(=O)(=O)[O-].O=S=O.O=S=O.[NH4+].[NH4+].
What is the InChIKey of diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)?
The InChIKey is DDBVDZJVNNZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H2O8S2.2O2S/c;;1-9(2,3)7-8-10(4,5)6;2*1-3-2/h2*1H3;(H,1,2,3)(H,4,5,6);;.
What are the key properties of diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)?
diazanium;sulfonatooxy sulfate;bis(sulfur dioxide) has a molecular weight of 356.33 g/mol, XLogP of -2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;sulfonatooxy sulfate;bis(sulfur dioxide) is sourced from PubChem (CID 19430598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).