Tetraoxidosulfate(.1-)

O4S- — CID 5460595

IUPAC—
SMILES[O]S(=O)(=O)[O-]
InChIInChI=1S/HO4S/c1-5(2,3)4/h(H,1,2,3)/p-1
InChIKeyNIAGBSSWEZDNMT-UHFFFAOYSA-M
MW96.06 g/mol
LogP-1.12
Rot. Bonds

About Tetraoxidosulfate(.1-)

Tetraoxidosulfate(.1-) (PubChem CID 5460595) has the molecular formula O4S- and a molecular weight of 96.06 g/mol.

Molecular Properties

Compound NameTetraoxidosulfate(.1-)
PubChem CID5460595
Molecular FormulaO4S-
Molecular Weight96.06 g/mol
Exact Mass95.95
IUPAC Name—
SMILES[O]S(=O)(=O)[O-]
InChIInChI=1S/HO4S/c1-5(2,3)4/h(H,1,2,3)/p-1
InChIKeyNIAGBSSWEZDNMT-UHFFFAOYSA-M
XLogP-1.12
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.06
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 Tetraoxidosulfate(.1-)?
The IUPAC name of Tetraoxidosulfate(.1-) (CID 5460595) is not available.
What is the SMILES notation for Tetraoxidosulfate(.1-)?
The canonical SMILES for Tetraoxidosulfate(.1-) is [O]S(=O)(=O)[O-].
What is the InChIKey of Tetraoxidosulfate(.1-)?
The InChIKey is NIAGBSSWEZDNMT-UHFFFAOYSA-M. The full InChI is InChI=1S/HO4S/c1-5(2,3)4/h(H,1,2,3)/p-1.
What are the key properties of Tetraoxidosulfate(.1-)?
Tetraoxidosulfate(.1-) has a molecular weight of 96.06 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tetraoxidosulfate(.1-) is sourced from PubChem (CID 5460595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).