sodium;sulfite;hydrate

H2NaO4S- — CID 19366461

IUPACsodium;sulfite;hydrate
SMILESO.O=S([O-])[O-].[Na+]
InChIInChI=1S/Na.H2O3S.H2O/c;1-4(2)3;/h;(H2,1,2,3);1H2/q+1;;/p-2
InChIKeyXODPQKCXGFBFHX-UHFFFAOYSA-L
MW121.07 g/mol
LogP-4.82
Rot. Bonds

About sodium;sulfite;hydrate

sodium;sulfite;hydrate (PubChem CID 19366461) has the molecular formula H2NaO4S- and a molecular weight of 121.07 g/mol. Its IUPAC name is sodium;sulfite;hydrate.

Molecular Properties

Compound Namesodium;sulfite;hydrate
PubChem CID19366461
Molecular FormulaH2NaO4S-
Molecular Weight121.07 g/mol
Exact Mass120.96
IUPAC Namesodium;sulfite;hydrate
SMILESO.O=S([O-])[O-].[Na+]
InChIInChI=1S/Na.H2O3S.H2O/c;1-4(2)3;/h;(H2,1,2,3);1H2/q+1;;/p-2
InChIKeyXODPQKCXGFBFHX-UHFFFAOYSA-L
XLogP-4.82
TPSA94.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.07
LogP ≤ 5-4.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;sulfite;hexahydrate
CID 158498638
disodium;sulfite
CID 516934
calcium;sulfite;dihydrate
CID 23448497
disodium;methane;sulfite
CID 86619477
chromium(2+) sulfite
CID 22462027
cobalt(2+) sulfite
CID 18760923
dicopper disulfite
CID 170844287
ruthenium(2+) sulfite
CID 22610794
bis(lutetium(3+));trisulfite
CID 159878392
disodium;cyclopropane;sulfite
CID 175924940
hydron;iron(2+);sulfite
CID 20545645
calcium;magnesium;disulfite
CID 22465809

Frequently Asked Questions

What is the IUPAC name of sodium;sulfite;hydrate?
The IUPAC name of sodium;sulfite;hydrate (CID 19366461) is sodium;sulfite;hydrate.
What is the SMILES notation for sodium;sulfite;hydrate?
The canonical SMILES for sodium;sulfite;hydrate is O.O=S([O-])[O-].[Na+].
What is the InChIKey of sodium;sulfite;hydrate?
The InChIKey is XODPQKCXGFBFHX-UHFFFAOYSA-L. The full InChI is InChI=1S/Na.H2O3S.H2O/c;1-4(2)3;/h;(H2,1,2,3);1H2/q+1;;/p-2.
What are the key properties of sodium;sulfite;hydrate?
sodium;sulfite;hydrate has a molecular weight of 121.07 g/mol, XLogP of -4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfite;hydrate is sourced from PubChem (CID 19366461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).