azane;barium(2+);hydride;sulfuric acid

H7BaNO4S — CID 173256426

IUPACazane;barium(2+);hydride;sulfuric acid
SMILESN.O=S(=O)(O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.H3N.H2O4S.2H/c;;1-5(2,3)4;;/h;1H3;(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyKGSANMMYOZOCHA-UHFFFAOYSA-N
MW254.45 g/mol
LogP-0.65
Rot. Bonds

About azane;barium(2+);hydride;sulfuric acid

azane;barium(2+);hydride;sulfuric acid (PubChem CID 173256426) has the molecular formula H7BaNO4S and a molecular weight of 254.45 g/mol. Its IUPAC name is azane;barium(2+);hydride;sulfuric acid.

Molecular Properties

Compound Nameazane;barium(2+);hydride;sulfuric acid
PubChem CID173256426
Molecular FormulaH7BaNO4S
Molecular Weight254.45 g/mol
Exact Mass254.91
IUPAC Nameazane;barium(2+);hydride;sulfuric acid
SMILESN.O=S(=O)(O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.H3N.H2O4S.2H/c;;1-5(2,3)4;;/h;1H3;(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyKGSANMMYOZOCHA-UHFFFAOYSA-N
XLogP-0.65
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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azane;methane;sulfuric acid
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azane;sulfuric acid;hexahydrate
CID 173404062
dipotassium;hydride;sulfuric acid
CID 173242189
CID 156593771
CID 156593771
azane;sulfuric acid;hydrofluoride
CID 173370873
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Frequently Asked Questions

What is the IUPAC name of azane;barium(2+);hydride;sulfuric acid?
The IUPAC name of azane;barium(2+);hydride;sulfuric acid (CID 173256426) is azane;barium(2+);hydride;sulfuric acid.
What is the SMILES notation for azane;barium(2+);hydride;sulfuric acid?
The canonical SMILES for azane;barium(2+);hydride;sulfuric acid is N.O=S(=O)(O)O.[Ba+2].[H-].[H-].
What is the InChIKey of azane;barium(2+);hydride;sulfuric acid?
The InChIKey is KGSANMMYOZOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H3N.H2O4S.2H/c;;1-5(2,3)4;;/h;1H3;(H2,1,2,3,4);;/q+2;;;2*-1.
What are the key properties of azane;barium(2+);hydride;sulfuric acid?
azane;barium(2+);hydride;sulfuric acid has a molecular weight of 254.45 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;barium(2+);hydride;sulfuric acid is sourced from PubChem (CID 173256426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).