hydron;sulfate

H2O4S — CID 22066174

IUPAChydron;sulfate
SMILESO=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-N
MW98.08 g/mol
LogP-1.11
Rot. Bonds

About hydron;sulfate

hydron;sulfate (PubChem CID 22066174) has the molecular formula H2O4S and a molecular weight of 98.08 g/mol. Its IUPAC name is hydron;sulfate.

Molecular Properties

Compound Namehydron;sulfate
PubChem CID22066174
Molecular FormulaH2O4S
Molecular Weight98.08 g/mol
Exact Mass97.97
IUPAC Namehydron;sulfate
SMILESO=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-N
XLogP-1.11
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of hydron;sulfate?
The IUPAC name of hydron;sulfate (CID 22066174) is hydron;sulfate.
What is the SMILES notation for hydron;sulfate?
The canonical SMILES for hydron;sulfate is O=S(=O)([O-])[O-].[H+].[H+].
What is the InChIKey of hydron;sulfate?
The InChIKey is QAOWNCQODCNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4).
What are the key properties of hydron;sulfate?
hydron;sulfate has a molecular weight of 98.08 g/mol, XLogP of -1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;sulfate is sourced from PubChem (CID 22066174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).