zinc;barium(2+);hydride;sulfate

H2BaO4SZn — CID 173310987

IUPACzinc;barium(2+);hydride;sulfate
SMILESO=S(=O)([O-])[O-].[Ba+2].[H-].[H-].[Zn+2]
InChIInChI=1S/Ba.H2O4S.Zn.2H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;+2;2*-1/p-2
InChIKeyQURPCCDMYYUJGP-UHFFFAOYSA-L
MW300.80 g/mol
LogP-1.50
Rot. Bonds

About zinc;barium(2+);hydride;sulfate

zinc;barium(2+);hydride;sulfate (PubChem CID 173310987) has the molecular formula H2BaO4SZn and a molecular weight of 300.80 g/mol. Its IUPAC name is zinc;barium(2+);hydride;sulfate.

Molecular Properties

Compound Namezinc;barium(2+);hydride;sulfate
PubChem CID173310987
Molecular FormulaH2BaO4SZn
Molecular Weight300.80 g/mol
Exact Mass299.80
IUPAC Namezinc;barium(2+);hydride;sulfate
SMILESO=S(=O)([O-])[O-].[Ba+2].[H-].[H-].[Zn+2]
InChIInChI=1S/Ba.H2O4S.Zn.2H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;+2;2*-1/p-2
InChIKeyQURPCCDMYYUJGP-UHFFFAOYSA-L
XLogP-1.50
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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barium(2+);thorium(4+);trisulfate
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zinc;silane;sulfate
CID 174780600
hexadecasilver;octasulfate
CID 174664647
calcium;zinc;dichloride;sulfate
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zinc;hydron;hydroxide;sulfate
CID 155290416
dialuminum;calcium;hydride;trisulfate
CID 173168801
calcium;bis(dysprosium(3+));hydride;trisulfate
CID 173441123
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CID 21123762

Frequently Asked Questions

What is the IUPAC name of zinc;barium(2+);hydride;sulfate?
The IUPAC name of zinc;barium(2+);hydride;sulfate (CID 173310987) is zinc;barium(2+);hydride;sulfate.
What is the SMILES notation for zinc;barium(2+);hydride;sulfate?
The canonical SMILES for zinc;barium(2+);hydride;sulfate is O=S(=O)([O-])[O-].[Ba+2].[H-].[H-].[Zn+2].
What is the InChIKey of zinc;barium(2+);hydride;sulfate?
The InChIKey is QURPCCDMYYUJGP-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.H2O4S.Zn.2H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;+2;2*-1/p-2.
What are the key properties of zinc;barium(2+);hydride;sulfate?
zinc;barium(2+);hydride;sulfate has a molecular weight of 300.80 g/mol, XLogP of -1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;barium(2+);hydride;sulfate is sourced from PubChem (CID 173310987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).