hydrogen sulfite;hydrate

H3O4S- — CID 19805598

IUPAChydrogen sulfite;hydrate
SMILESO.O=S([O-])O
InChIInChI=1S/H2O3S.H2O/c1-4(2)3;/h(H2,1,2,3);1H2/p-1
InChIKeyGRNVJAJGRSXFFZ-UHFFFAOYSA-M
MW99.09 g/mol
LogP-1.49
Rot. Bonds

About hydrogen sulfite;hydrate

hydrogen sulfite;hydrate (PubChem CID 19805598) has the molecular formula H3O4S- and a molecular weight of 99.09 g/mol. Its IUPAC name is hydrogen sulfite;hydrate.

Molecular Properties

Compound Namehydrogen sulfite;hydrate
PubChem CID19805598
Molecular FormulaH3O4S-
Molecular Weight99.09 g/mol
Exact Mass98.98
IUPAC Namehydrogen sulfite;hydrate
SMILESO.O=S([O-])O
InChIInChI=1S/H2O3S.H2O/c1-4(2)3;/h(H2,1,2,3);1H2/p-1
InChIKeyGRNVJAJGRSXFFZ-UHFFFAOYSA-M
XLogP-1.49
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-1.49
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 hydrogen sulfite;hydrate?
The IUPAC name of hydrogen sulfite;hydrate (CID 19805598) is hydrogen sulfite;hydrate.
What is the SMILES notation for hydrogen sulfite;hydrate?
The canonical SMILES for hydrogen sulfite;hydrate is O.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;hydrate?
The InChIKey is GRNVJAJGRSXFFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O3S.H2O/c1-4(2)3;/h(H2,1,2,3);1H2/p-1.
What are the key properties of hydrogen sulfite;hydrate?
hydrogen sulfite;hydrate has a molecular weight of 99.09 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;hydrate is sourced from PubChem (CID 19805598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).