diazanium;nickel;trisulfate

H8N2Ni2O12S3-4 — CID 23623901

IUPACdiazanium;nickel;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[Ni].[Ni]
InChIInChI=1S/2H3N.2Ni.3H2O4S/c;;;;3*1-5(2,3)4/h2*1H3;;;3*(H2,1,2,3,4)/p-4
InChIKeyZTIBLSFDOTXLGD-UHFFFAOYSA-J
MW441.65 g/mol
LogP-3.27
Rot. Bonds

About diazanium;nickel;trisulfate

diazanium;nickel;trisulfate (PubChem CID 23623901) has the molecular formula H8N2Ni2O12S3-4 and a molecular weight of 441.65 g/mol. Its IUPAC name is diazanium;nickel;trisulfate.

Molecular Properties

Compound Namediazanium;nickel;trisulfate
PubChem CID23623901
Molecular FormulaH8N2Ni2O12S3-4
Molecular Weight441.65 g/mol
Exact Mass439.80
IUPAC Namediazanium;nickel;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[Ni].[Ni]
InChIInChI=1S/2H3N.2Ni.3H2O4S/c;;;;3*1-5(2,3)4/h2*1H3;;;3*(H2,1,2,3,4)/p-4
InChIKeyZTIBLSFDOTXLGD-UHFFFAOYSA-J
XLogP-3.27
TPSA313.78 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.65
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diazanium;nickel;trisulfate?
The IUPAC name of diazanium;nickel;trisulfate (CID 23623901) is diazanium;nickel;trisulfate.
What is the SMILES notation for diazanium;nickel;trisulfate?
The canonical SMILES for diazanium;nickel;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[Ni].[Ni].
What is the InChIKey of diazanium;nickel;trisulfate?
The InChIKey is ZTIBLSFDOTXLGD-UHFFFAOYSA-J. The full InChI is InChI=1S/2H3N.2Ni.3H2O4S/c;;;;3*1-5(2,3)4/h2*1H3;;;3*(H2,1,2,3,4)/p-4.
What are the key properties of diazanium;nickel;trisulfate?
diazanium;nickel;trisulfate has a molecular weight of 441.65 g/mol, XLogP of -3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;nickel;trisulfate is sourced from PubChem (CID 23623901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).