zinc;oxalonitrile;sulfate

C2N2O4SZn — CID 174840626

IUPACzinc;oxalonitrile;sulfate
SMILESN#CC#N.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C2N2.H2O4S.Zn/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyWKEHPQORRRUVAK-UHFFFAOYSA-L
MW213.49 g/mol
LogP-1.31
Rot. Bonds

About zinc;oxalonitrile;sulfate

zinc;oxalonitrile;sulfate (PubChem CID 174840626) has the molecular formula C2N2O4SZn and a molecular weight of 213.49 g/mol. Its IUPAC name is zinc;oxalonitrile;sulfate.

Molecular Properties

Compound Namezinc;oxalonitrile;sulfate
PubChem CID174840626
Molecular FormulaC2N2O4SZn
Molecular Weight213.49 g/mol
Exact Mass211.89
IUPAC Namezinc;oxalonitrile;sulfate
SMILESN#CC#N.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C2N2.H2O4S.Zn/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyWKEHPQORRRUVAK-UHFFFAOYSA-L
XLogP-1.31
TPSA127.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.49
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

zinc;methanol;sulfate;heptahydrate
CID 175143142
sulfate trihydrate
CID 22613957
silver;zinc;sulfate
CID 157447446
zinc;boric acid;sulfate;heptahydrate
CID 159142256
zinc;boric acid;sulfate;hydrate
CID 175982549
sulfuric acid;sulfate;heptahydrate
CID 22403493
zinc;sulfuric acid;sulfate
CID 160674423
zinc;methanol;sulfate
CID 87569846
zinc;silane;sulfate
CID 174780600
chromium(3+);sulfate;hexahydrate
CID 21126657
copper;disulfate;hydrate
CID 44601134
bis(neodymium(3+));trisulfate;hydrate
CID 53249209

Frequently Asked Questions

What is the IUPAC name of zinc;oxalonitrile;sulfate?
The IUPAC name of zinc;oxalonitrile;sulfate (CID 174840626) is zinc;oxalonitrile;sulfate.
What is the SMILES notation for zinc;oxalonitrile;sulfate?
The canonical SMILES for zinc;oxalonitrile;sulfate is N#CC#N.O=S(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc;oxalonitrile;sulfate?
The InChIKey is WKEHPQORRRUVAK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2N2.H2O4S.Zn/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;oxalonitrile;sulfate?
zinc;oxalonitrile;sulfate has a molecular weight of 213.49 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;oxalonitrile;sulfate is sourced from PubChem (CID 174840626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).