cerium(4+);methanesulfonate;dihydroxide;hydrate

C2H10CeO9S2 — CID 173386213

IUPACcerium(4+);methanesulfonate;dihydroxide;hydrate
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].O.[Ce+4].[OH-].[OH-]
InChIInChI=1S/2CH4O3S.Ce.3H2O/c2*1-5(2,3)4;;;;/h2*1H3,(H,2,3,4);;3*1H2/q;;+4;;;/p-4
InChIKeySYOHEHWFUUTDRQ-UHFFFAOYSA-J
MW382.34 g/mol
LogP-2.86
Rot. Bonds

About cerium(4+);methanesulfonate;dihydroxide;hydrate

cerium(4+);methanesulfonate;dihydroxide;hydrate (PubChem CID 173386213) has the molecular formula C2H10CeO9S2 and a molecular weight of 382.34 g/mol. Its IUPAC name is cerium(4+);methanesulfonate;dihydroxide;hydrate.

Molecular Properties

Compound Namecerium(4+);methanesulfonate;dihydroxide;hydrate
PubChem CID173386213
Molecular FormulaC2H10CeO9S2
Molecular Weight382.34 g/mol
Exact Mass381.88
IUPAC Namecerium(4+);methanesulfonate;dihydroxide;hydrate
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].O.[Ce+4].[OH-].[OH-]
InChIInChI=1S/2CH4O3S.Ce.3H2O/c2*1-5(2,3)4;;;;/h2*1H3,(H,2,3,4);;3*1H2/q;;+4;;;/p-4
InChIKeySYOHEHWFUUTDRQ-UHFFFAOYSA-J
XLogP-2.86
TPSA205.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 5-2.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cerium(4+);methanesulfonate;dihydroxide;hydrate?
The IUPAC name of cerium(4+);methanesulfonate;dihydroxide;hydrate (CID 173386213) is cerium(4+);methanesulfonate;dihydroxide;hydrate.
What is the SMILES notation for cerium(4+);methanesulfonate;dihydroxide;hydrate?
The canonical SMILES for cerium(4+);methanesulfonate;dihydroxide;hydrate is CS(=O)(=O)[O-].CS(=O)(=O)[O-].O.[Ce+4].[OH-].[OH-].
What is the InChIKey of cerium(4+);methanesulfonate;dihydroxide;hydrate?
The InChIKey is SYOHEHWFUUTDRQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH4O3S.Ce.3H2O/c2*1-5(2,3)4;;;;/h2*1H3,(H,2,3,4);;3*1H2/q;;+4;;;/p-4.
What are the key properties of cerium(4+);methanesulfonate;dihydroxide;hydrate?
cerium(4+);methanesulfonate;dihydroxide;hydrate has a molecular weight of 382.34 g/mol, XLogP of -2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);methanesulfonate;dihydroxide;hydrate is sourced from PubChem (CID 173386213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).