nickel;sulfuric acid;pentahydrate

H12NiO9S — CID 173152474

IUPACnickel;sulfuric acid;pentahydrate
SMILESO.O.O.O.O.O=S(=O)(O)O.[Ni]
InChIInChI=1S/Ni.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2
InChIKeyOTECBBYGEMBMOE-UHFFFAOYSA-N
MW246.85 g/mol
LogP-4.78
Rot. Bonds

About nickel;sulfuric acid;pentahydrate

nickel;sulfuric acid;pentahydrate (PubChem CID 173152474) has the molecular formula H12NiO9S and a molecular weight of 246.85 g/mol. Its IUPAC name is nickel;sulfuric acid;pentahydrate.

Molecular Properties

Compound Namenickel;sulfuric acid;pentahydrate
PubChem CID173152474
Molecular FormulaH12NiO9S
Molecular Weight246.85 g/mol
Exact Mass245.96
IUPAC Namenickel;sulfuric acid;pentahydrate
SMILESO.O.O.O.O.O=S(=O)(O)O.[Ni]
InChIInChI=1S/Ni.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2
InChIKeyOTECBBYGEMBMOE-UHFFFAOYSA-N
XLogP-4.78
TPSA232.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.85
LogP ≤ 5-4.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel;sulfuric acid;pentahydrate?
The IUPAC name of nickel;sulfuric acid;pentahydrate (CID 173152474) is nickel;sulfuric acid;pentahydrate.
What is the SMILES notation for nickel;sulfuric acid;pentahydrate?
The canonical SMILES for nickel;sulfuric acid;pentahydrate is O.O.O.O.O.O=S(=O)(O)O.[Ni].
What is the InChIKey of nickel;sulfuric acid;pentahydrate?
The InChIKey is OTECBBYGEMBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ni.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2.
What are the key properties of nickel;sulfuric acid;pentahydrate?
nickel;sulfuric acid;pentahydrate has a molecular weight of 246.85 g/mol, XLogP of -4.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;sulfuric acid;pentahydrate is sourced from PubChem (CID 173152474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).