cerium(3+);ethyl hydrogen sulfate

C2H6CeO4S+3 — CID 139596928

IUPACcerium(3+);ethyl hydrogen sulfate
SMILESCCOS(=O)(=O)O.[Ce+3]
InChIInChI=1S/C2H6O4S.Ce/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3
InChIKeyRKXMZDMVDCZKCP-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.17
Rot. Bonds2

About cerium(3+);ethyl hydrogen sulfate

cerium(3+);ethyl hydrogen sulfate (PubChem CID 139596928) has the molecular formula C2H6CeO4S+3 and a molecular weight of 266.25 g/mol. Its IUPAC name is cerium(3+);ethyl hydrogen sulfate.

Molecular Properties

Compound Namecerium(3+);ethyl hydrogen sulfate
PubChem CID139596928
Molecular FormulaC2H6CeO4S+3
Molecular Weight266.25 g/mol
Exact Mass265.90
IUPAC Namecerium(3+);ethyl hydrogen sulfate
SMILESCCOS(=O)(=O)O.[Ce+3]
InChIInChI=1S/C2H6O4S.Ce/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3
InChIKeyRKXMZDMVDCZKCP-UHFFFAOYSA-N
XLogP-0.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Sulfate
CID 6004
Sulfuric acid, monopropyl ester
CID 70469
Ethoxy sulfuric acid
CID 18469854
Athylschwefelsauremonohydrat
CID 19910537
Sodium ethyl sulfate monohydrate
CID 25022159
1-Fluoroethyl hydrogen sulfate
CID 87625057
Calcium ethyl hydrogen sulfate
CID 21115059
Magnesium ethyl hydrogen sulfate
CID 21116015
Ethyl hydrogen sulfate;gadolinium(3+)
CID 139594489
Ethyl hydrogen sulfate;neodymium(3+)
CID 139594973
Ethyl hydrogen sulfate;nickel(2+)
CID 139595475
Sulfosulfonyloxyethane
CID 21219622

Frequently Asked Questions

What is the IUPAC name of cerium(3+);ethyl hydrogen sulfate?
The IUPAC name of cerium(3+);ethyl hydrogen sulfate (CID 139596928) is cerium(3+);ethyl hydrogen sulfate.
What is the SMILES notation for cerium(3+);ethyl hydrogen sulfate?
The canonical SMILES for cerium(3+);ethyl hydrogen sulfate is CCOS(=O)(=O)O.[Ce+3].
What is the InChIKey of cerium(3+);ethyl hydrogen sulfate?
The InChIKey is RKXMZDMVDCZKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.Ce/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3.
What are the key properties of cerium(3+);ethyl hydrogen sulfate?
cerium(3+);ethyl hydrogen sulfate has a molecular weight of 266.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);ethyl hydrogen sulfate is sourced from PubChem (CID 139596928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).