cerium(3+);hydrogen sulfite

H3CeO9S3 — CID 22269524

IUPACcerium(3+);hydrogen sulfite
SMILESO=S([O-])O.O=S([O-])O.O=S([O-])O.[Ce+3]
InChIInChI=1S/Ce.3H2O3S/c;3*1-4(2)3/h;3*(H2,1,2,3)/q+3;;;/p-3
InChIKeyNBONMOWADMNUKX-UHFFFAOYSA-K
MW383.33 g/mol
LogP-1.98
Rot. Bonds

About cerium(3+);hydrogen sulfite

cerium(3+);hydrogen sulfite (PubChem CID 22269524) has the molecular formula H3CeO9S3 and a molecular weight of 383.33 g/mol. Its IUPAC name is cerium(3+);hydrogen sulfite.

Molecular Properties

Compound Namecerium(3+);hydrogen sulfite
PubChem CID22269524
Molecular FormulaH3CeO9S3
Molecular Weight383.33 g/mol
Exact Mass382.80
IUPAC Namecerium(3+);hydrogen sulfite
SMILESO=S([O-])O.O=S([O-])O.O=S([O-])O.[Ce+3]
InChIInChI=1S/Ce.3H2O3S/c;3*1-4(2)3/h;3*(H2,1,2,3)/q+3;;;/p-3
InChIKeyNBONMOWADMNUKX-UHFFFAOYSA-K
XLogP-1.98
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cerium(3+);hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydrogen sulfite;phosphane
CID 173071517
hydrogen sulfite;tantalum
CID 175264053
hydrogen sulfite;scandium
CID 174863397
hydrogen sulfite;λ2-plumbane
CID 174301264
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
sodium;zinc;hydrogen sulfite
CID 160800284
sodium;azane;hydrogen sulfite
CID 173222991
hydrogen sulfite;zinc;dihydrate
CID 66545802
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
carbanide;hydrogen sulfite;yttrium
CID 59749641
dimagnesium;hydrogen sulfite;sulfite
CID 158769283
hydrogen sulfite;methanol;hydrochloride
CID 174961977

Frequently Asked Questions

What is the IUPAC name of cerium(3+);hydrogen sulfite?
The IUPAC name of cerium(3+);hydrogen sulfite (CID 22269524) is cerium(3+);hydrogen sulfite.
What is the SMILES notation for cerium(3+);hydrogen sulfite?
The canonical SMILES for cerium(3+);hydrogen sulfite is O=S([O-])O.O=S([O-])O.O=S([O-])O.[Ce+3].
What is the InChIKey of cerium(3+);hydrogen sulfite?
The InChIKey is NBONMOWADMNUKX-UHFFFAOYSA-K. The full InChI is InChI=1S/Ce.3H2O3S/c;3*1-4(2)3/h;3*(H2,1,2,3)/q+3;;;/p-3.
What are the key properties of cerium(3+);hydrogen sulfite?
cerium(3+);hydrogen sulfite has a molecular weight of 383.33 g/mol, XLogP of -1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);hydrogen sulfite is sourced from PubChem (CID 22269524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).