sulfate

O4S-2 — CID 1117

IUPACsulfate
SMILESO=S(=O)([O-])[O-]
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
MW96.06 g/mol
LogP-1.34
Rot. Bonds

About sulfate

sulfate (PubChem CID 1117) has the molecular formula O4S-2 and a molecular weight of 96.06 g/mol. Its IUPAC name is sulfate.

Molecular Properties

Compound Namesulfate
PubChem CID1117
Molecular FormulaO4S-2
Molecular Weight96.06 g/mol
Exact Mass95.95
IUPAC Namesulfate
SMILESO=S(=O)([O-])[O-]
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
XLogP-1.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.06
LogP ≤ 5-1.34
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 sulfate?
The IUPAC name of sulfate (CID 1117) is sulfate.
What is the SMILES notation for sulfate?
The canonical SMILES for sulfate is O=S(=O)([O-])[O-].
What is the InChIKey of sulfate?
The InChIKey is QAOWNCQODCNURD-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2.
What are the key properties of sulfate?
sulfate has a molecular weight of 96.06 g/mol, XLogP of -1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfate is sourced from PubChem (CID 1117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).