nickel;phosphonosulfanylphosphonic acid

H4NiO6P2S — CID 54602233

IUPACnickel;phosphonosulfanylphosphonic acid
SMILESO=P(O)(O)SP(=O)(O)O.[Ni]
InChIInChI=1S/Ni.H4O6P2S/c;1-7(2,3)9-8(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyCDSWNSTXWVSPFZ-UHFFFAOYSA-N
MW252.73 g/mol
LogP-0.10
Rot. Bonds2

About nickel;phosphonosulfanylphosphonic acid

nickel;phosphonosulfanylphosphonic acid (PubChem CID 54602233) has the molecular formula H4NiO6P2S and a molecular weight of 252.73 g/mol. Its IUPAC name is nickel;phosphonosulfanylphosphonic acid.

Molecular Properties

Compound Namenickel;phosphonosulfanylphosphonic acid
PubChem CID54602233
Molecular FormulaH4NiO6P2S
Molecular Weight252.73 g/mol
Exact Mass251.86
IUPAC Namenickel;phosphonosulfanylphosphonic acid
SMILESO=P(O)(O)SP(=O)(O)O.[Ni]
InChIInChI=1S/Ni.H4O6P2S/c;1-7(2,3)9-8(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyCDSWNSTXWVSPFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel;phosphonosulfanylphosphonic acid?
The IUPAC name of nickel;phosphonosulfanylphosphonic acid (CID 54602233) is nickel;phosphonosulfanylphosphonic acid.
What is the SMILES notation for nickel;phosphonosulfanylphosphonic acid?
The canonical SMILES for nickel;phosphonosulfanylphosphonic acid is O=P(O)(O)SP(=O)(O)O.[Ni].
What is the InChIKey of nickel;phosphonosulfanylphosphonic acid?
The InChIKey is CDSWNSTXWVSPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ni.H4O6P2S/c;1-7(2,3)9-8(4,5)6/h;(H2,1,2,3)(H2,4,5,6).
What are the key properties of nickel;phosphonosulfanylphosphonic acid?
nickel;phosphonosulfanylphosphonic acid has a molecular weight of 252.73 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;phosphonosulfanylphosphonic acid is sourced from PubChem (CID 54602233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).