sodium hydrogen sulfite

HNaO3S — CID 23665763

IUPACsodium hydrogen sulfite
SMILESO=S([O-])O.[Na+]
InChIInChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeyDWAQJAXMDSEUJJ-UHFFFAOYSA-M
MW104.06 g/mol
LogP-3.66
Rot. Bonds

About sodium hydrogen sulfite

sodium hydrogen sulfite (PubChem CID 23665763) has the molecular formula HNaO3S and a molecular weight of 104.06 g/mol. Its IUPAC name is sodium hydrogen sulfite.

Molecular Properties

Compound Namesodium hydrogen sulfite
PubChem CID23665763
Molecular FormulaHNaO3S
Molecular Weight104.06 g/mol
Exact Mass103.95
IUPAC Namesodium hydrogen sulfite
SMILESO=S([O-])O.[Na+]
InChIInChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeyDWAQJAXMDSEUJJ-UHFFFAOYSA-M
XLogP-3.66
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium hydrogen sulfite?
The IUPAC name of sodium hydrogen sulfite (CID 23665763) is sodium hydrogen sulfite.
What is the SMILES notation for sodium hydrogen sulfite?
The canonical SMILES for sodium hydrogen sulfite is O=S([O-])O.[Na+].
What is the InChIKey of sodium hydrogen sulfite?
The InChIKey is DWAQJAXMDSEUJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1.
What are the key properties of sodium hydrogen sulfite?
sodium hydrogen sulfite has a molecular weight of 104.06 g/mol, XLogP of -3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydrogen sulfite is sourced from PubChem (CID 23665763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).