cerium trisulfate

CeO12S3-6 — CID 160867766

IUPACcerium trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce]
InChIInChI=1S/Ce.3H2O4S/c;3*1-5(2,3)4/h;3*(H2,1,2,3,4)/p-6
InChIKeyIGZFCPZYWBSKBU-UHFFFAOYSA-H
MW428.31 g/mol
LogP-4.01
Rot. Bonds

About cerium trisulfate

cerium trisulfate (PubChem CID 160867766) has the molecular formula CeO12S3-6 and a molecular weight of 428.31 g/mol. Its IUPAC name is cerium trisulfate.

Molecular Properties

Compound Namecerium trisulfate
PubChem CID160867766
Molecular FormulaCeO12S3-6
Molecular Weight428.31 g/mol
Exact Mass427.76
IUPAC Namecerium trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce]
InChIInChI=1S/Ce.3H2O4S/c;3*1-5(2,3)4/h;3*(H2,1,2,3,4)/p-6
InChIKeyIGZFCPZYWBSKBU-UHFFFAOYSA-H
XLogP-4.01
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.31
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cerium trisulfate?
The IUPAC name of cerium trisulfate (CID 160867766) is cerium trisulfate.
What is the SMILES notation for cerium trisulfate?
The canonical SMILES for cerium trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce].
What is the InChIKey of cerium trisulfate?
The InChIKey is IGZFCPZYWBSKBU-UHFFFAOYSA-H. The full InChI is InChI=1S/Ce.3H2O4S/c;3*1-5(2,3)4/h;3*(H2,1,2,3,4)/p-6.
What are the key properties of cerium trisulfate?
cerium trisulfate has a molecular weight of 428.31 g/mol, XLogP of -4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cerium trisulfate is sourced from PubChem (CID 160867766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).