azanium;nickel(2+);acetate;sulfate

C2H7NNiO6S — CID 158924325

IUPACazanium;nickel(2+);acetate;sulfate
SMILESCC(=O)[O-].O=S(=O)([O-])[O-].[NH4+].[Ni+2]
InChIInChI=1S/C2H4O2.H3N.Ni.H2O4S/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);1H3;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyJIFUYUWVLZMVML-UHFFFAOYSA-L
MW231.84 g/mol
LogP-2.21
Rot. Bonds

About azanium;nickel(2+);acetate;sulfate

azanium;nickel(2+);acetate;sulfate (PubChem CID 158924325) has the molecular formula C2H7NNiO6S and a molecular weight of 231.84 g/mol. Its IUPAC name is azanium;nickel(2+);acetate;sulfate.

Molecular Properties

Compound Nameazanium;nickel(2+);acetate;sulfate
PubChem CID158924325
Molecular FormulaC2H7NNiO6S
Molecular Weight231.84 g/mol
Exact Mass230.93
IUPAC Nameazanium;nickel(2+);acetate;sulfate
SMILESCC(=O)[O-].O=S(=O)([O-])[O-].[NH4+].[Ni+2]
InChIInChI=1S/C2H4O2.H3N.Ni.H2O4S/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);1H3;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyJIFUYUWVLZMVML-UHFFFAOYSA-L
XLogP-2.21
TPSA156.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.84
LogP ≤ 5-2.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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calcium;dilithium;diacetate;sulfate;trihydrate
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calcium;magnesium;acetate;sulfate
CID 161125656
azanium;nickel;acetate;hydroxide
CID 174923833
lithium;manganese(2+);diacetate;hydroxide
CID 173362486
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CID 162301729
silver;azane;acetate
CID 160849011
bis(zirconium(4+));acetate;hydroxide
CID 172795489
manganese(2+);acetate;hydroxide
CID 56943305
azanium;cerium(4+);pentaacetate
CID 172759983
silver;iridium(3+);tetraacetate
CID 175390811

Frequently Asked Questions

What is the IUPAC name of azanium;nickel(2+);acetate;sulfate?
The IUPAC name of azanium;nickel(2+);acetate;sulfate (CID 158924325) is azanium;nickel(2+);acetate;sulfate.
What is the SMILES notation for azanium;nickel(2+);acetate;sulfate?
The canonical SMILES for azanium;nickel(2+);acetate;sulfate is CC(=O)[O-].O=S(=O)([O-])[O-].[NH4+].[Ni+2].
What is the InChIKey of azanium;nickel(2+);acetate;sulfate?
The InChIKey is JIFUYUWVLZMVML-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.H3N.Ni.H2O4S/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);1H3;;(H2,1,2,3,4)/q;;+2;/p-2.
What are the key properties of azanium;nickel(2+);acetate;sulfate?
azanium;nickel(2+);acetate;sulfate has a molecular weight of 231.84 g/mol, XLogP of -2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;nickel(2+);acetate;sulfate is sourced from PubChem (CID 158924325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).