disodium;sulfite;hexahydrate

H12Na2O9S — CID 158498638

IUPACdisodium;sulfite;hexahydrate
SMILESO.O.O.O.O.O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O3S.6H2O/c;;1-4(2)3;;;;;;/h;;(H2,1,2,3);6*1H2/q2*+1;;;;;;;/p-2
InChIKeyHJPLYFGAJDYOND-UHFFFAOYSA-L
MW234.13 g/mol
LogP-11.94
Rot. Bonds

About disodium;sulfite;hexahydrate

disodium;sulfite;hexahydrate (PubChem CID 158498638) has the molecular formula H12Na2O9S and a molecular weight of 234.13 g/mol. Its IUPAC name is disodium;sulfite;hexahydrate.

Molecular Properties

Compound Namedisodium;sulfite;hexahydrate
PubChem CID158498638
Molecular FormulaH12Na2O9S
Molecular Weight234.13 g/mol
Exact Mass234.00
IUPAC Namedisodium;sulfite;hexahydrate
SMILESO.O.O.O.O.O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O3S.6H2O/c;;1-4(2)3;;;;;;/h;;(H2,1,2,3);6*1H2/q2*+1;;;;;;;/p-2
InChIKeyHJPLYFGAJDYOND-UHFFFAOYSA-L
XLogP-11.94
TPSA252.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 5-11.94
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

sodium;sulfite;hydrate
CID 19366461
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 disodium;sulfite;hexahydrate?
The IUPAC name of disodium;sulfite;hexahydrate (CID 158498638) is disodium;sulfite;hexahydrate.
What is the SMILES notation for disodium;sulfite;hexahydrate?
The canonical SMILES for disodium;sulfite;hexahydrate is O.O.O.O.O.O.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;sulfite;hexahydrate?
The InChIKey is HJPLYFGAJDYOND-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O3S.6H2O/c;;1-4(2)3;;;;;;/h;;(H2,1,2,3);6*1H2/q2*+1;;;;;;;/p-2.
What are the key properties of disodium;sulfite;hexahydrate?
disodium;sulfite;hexahydrate has a molecular weight of 234.13 g/mol, XLogP of -11.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;sulfite;hexahydrate is sourced from PubChem (CID 158498638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).