azanium;scandium(3+);sulfate

H4NO4SSc+2 — CID 19900049

IUPACazanium;scandium(3+);sulfate
SMILESO=S(=O)([O-])[O-].[NH4+].[Sc+3]
InChIInChI=1S/H3N.H2O4S.Sc/c;1-5(2,3)4;/h1H3;(H2,1,2,3,4);/q;;+3/p-1
InChIKeyASFUTODRBWNUCU-UHFFFAOYSA-M
MW159.06 g/mol
LogP-0.96
Rot. Bonds

About azanium;scandium(3+);sulfate

azanium;scandium(3+);sulfate (PubChem CID 19900049) has the molecular formula H4NO4SSc+2 and a molecular weight of 159.06 g/mol. Its IUPAC name is azanium;scandium(3+);sulfate.

Molecular Properties

Compound Nameazanium;scandium(3+);sulfate
PubChem CID19900049
Molecular FormulaH4NO4SSc+2
Molecular Weight159.06 g/mol
Exact Mass158.94
IUPAC Nameazanium;scandium(3+);sulfate
SMILESO=S(=O)([O-])[O-].[NH4+].[Sc+3]
InChIInChI=1S/H3N.H2O4S.Sc/c;1-5(2,3)4;/h1H3;(H2,1,2,3,4);/q;;+3/p-1
InChIKeyASFUTODRBWNUCU-UHFFFAOYSA-M
XLogP-0.96
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of azanium;scandium(3+);sulfate?
The IUPAC name of azanium;scandium(3+);sulfate (CID 19900049) is azanium;scandium(3+);sulfate.
What is the SMILES notation for azanium;scandium(3+);sulfate?
The canonical SMILES for azanium;scandium(3+);sulfate is O=S(=O)([O-])[O-].[NH4+].[Sc+3].
What is the InChIKey of azanium;scandium(3+);sulfate?
The InChIKey is ASFUTODRBWNUCU-UHFFFAOYSA-M. The full InChI is InChI=1S/H3N.H2O4S.Sc/c;1-5(2,3)4;/h1H3;(H2,1,2,3,4);/q;;+3/p-1.
What are the key properties of azanium;scandium(3+);sulfate?
azanium;scandium(3+);sulfate has a molecular weight of 159.06 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;scandium(3+);sulfate is sourced from PubChem (CID 19900049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).