iodanium;disodium;hydrogen sulfite;sulfite

H3INa2O6S2 — CID 172740799

IUPACiodanium;disodium;hydrogen sulfite;sulfite
SMILESO=S([O-])O.O=S([O-])[O-].[IH2+].[Na+].[Na+]
InChIInChI=1S/H2I.2Na.2H2O3S/c;;;2*1-4(2)3/h1H2;;;2*(H2,1,2,3)/q3*+1;;/p-3
InChIKeySARXZYUQSHPEAT-UHFFFAOYSA-K
MW336.04 g/mol
LogP-11.19
Rot. Bonds

About iodanium;disodium;hydrogen sulfite;sulfite

iodanium;disodium;hydrogen sulfite;sulfite (PubChem CID 172740799) has the molecular formula H3INa2O6S2 and a molecular weight of 336.04 g/mol. Its IUPAC name is iodanium;disodium;hydrogen sulfite;sulfite.

Molecular Properties

Compound Nameiodanium;disodium;hydrogen sulfite;sulfite
PubChem CID172740799
Molecular FormulaH3INa2O6S2
Molecular Weight336.04 g/mol
Exact Mass335.82
IUPAC Nameiodanium;disodium;hydrogen sulfite;sulfite
SMILESO=S([O-])O.O=S([O-])[O-].[IH2+].[Na+].[Na+]
InChIInChI=1S/H2I.2Na.2H2O3S/c;;;2*1-4(2)3/h1H2;;;2*(H2,1,2,3)/q3*+1;;/p-3
InChIKeySARXZYUQSHPEAT-UHFFFAOYSA-K
XLogP-11.19
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.04
LogP ≤ 5-11.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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trisodium;hydrogen sulfite;bromide;chloride
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hydrogen sulfite;phosphane
CID 173071517
hydrogen sulfite;tantalum
CID 175264053
hydrogen sulfite;scandium
CID 174863397
hydrogen sulfite;λ2-plumbane
CID 174301264
disodium;sulfite
CID 516934
dipotassium;disodium;hydride;sulfurous acid;sulfite
CID 173373429

Frequently Asked Questions

What is the IUPAC name of iodanium;disodium;hydrogen sulfite;sulfite?
The IUPAC name of iodanium;disodium;hydrogen sulfite;sulfite (CID 172740799) is iodanium;disodium;hydrogen sulfite;sulfite.
What is the SMILES notation for iodanium;disodium;hydrogen sulfite;sulfite?
The canonical SMILES for iodanium;disodium;hydrogen sulfite;sulfite is O=S([O-])O.O=S([O-])[O-].[IH2+].[Na+].[Na+].
What is the InChIKey of iodanium;disodium;hydrogen sulfite;sulfite?
The InChIKey is SARXZYUQSHPEAT-UHFFFAOYSA-K. The full InChI is InChI=1S/H2I.2Na.2H2O3S/c;;;2*1-4(2)3/h1H2;;;2*(H2,1,2,3)/q3*+1;;/p-3.
What are the key properties of iodanium;disodium;hydrogen sulfite;sulfite?
iodanium;disodium;hydrogen sulfite;sulfite has a molecular weight of 336.04 g/mol, XLogP of -11.19, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium;disodium;hydrogen sulfite;sulfite is sourced from PubChem (CID 172740799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).