lithium hydrogen sulfite

HLiO3S — CID 23678579

IUPAClithium hydrogen sulfite
SMILESO=S([O-])O.[Li+]
InChIInChI=1S/Li.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeySUPUVLWGKPVHBQ-UHFFFAOYSA-M
MW88.01 g/mol
LogP-3.66
Rot. Bonds

About lithium hydrogen sulfite

lithium hydrogen sulfite (PubChem CID 23678579) has the molecular formula HLiO3S and a molecular weight of 88.01 g/mol. Its IUPAC name is lithium hydrogen sulfite.

Molecular Properties

Compound Namelithium hydrogen sulfite
PubChem CID23678579
Molecular FormulaHLiO3S
Molecular Weight88.01 g/mol
Exact Mass87.98
IUPAC Namelithium hydrogen sulfite
SMILESO=S([O-])O.[Li+]
InChIInChI=1S/Li.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeySUPUVLWGKPVHBQ-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 ≤ 50088.01
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 lithium hydrogen sulfite?
The IUPAC name of lithium hydrogen sulfite (CID 23678579) is lithium hydrogen sulfite.
What is the SMILES notation for lithium hydrogen sulfite?
The canonical SMILES for lithium hydrogen sulfite is O=S([O-])O.[Li+].
What is the InChIKey of lithium hydrogen sulfite?
The InChIKey is SUPUVLWGKPVHBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/Li.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1.
What are the key properties of lithium hydrogen sulfite?
lithium hydrogen sulfite has a molecular weight of 88.01 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 lithium hydrogen sulfite is sourced from PubChem (CID 23678579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).