CID 20581843

HNa2O4S — CID 20581843

IUPAC—
SMILESO=S(=O)([O-])O.[Na+].[Na]
InChIInChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyJUCDGWQOJPKIIA-UHFFFAOYSA-M
MW143.05 g/mol
LogP-4.37
Rot. Bonds

About CID 20581843

CID 20581843 (PubChem CID 20581843) has the molecular formula HNa2O4S and a molecular weight of 143.05 g/mol.

Molecular Properties

Compound NameCID 20581843
PubChem CID20581843
Molecular FormulaHNa2O4S
Molecular Weight143.05 g/mol
Exact Mass142.94
IUPAC Name—
SMILESO=S(=O)([O-])O.[Na+].[Na]
InChIInChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyJUCDGWQOJPKIIA-UHFFFAOYSA-M
XLogP-4.37
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.05
LogP ≤ 5-4.37
H-Bond Donors ≤ 51
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 CID 20581843?
The IUPAC name of CID 20581843 (CID 20581843) is not available.
What is the SMILES notation for CID 20581843?
The canonical SMILES for CID 20581843 is O=S(=O)([O-])O.[Na+].[Na].
What is the InChIKey of CID 20581843?
The InChIKey is JUCDGWQOJPKIIA-UHFFFAOYSA-M. The full InChI is InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of CID 20581843?
CID 20581843 has a molecular weight of 143.05 g/mol, XLogP of -4.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20581843 is sourced from PubChem (CID 20581843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).