tricesium;triiodide

Cs3I3 — CID 71317318

IUPACtricesium;triiodide
SMILES[Cs+].[Cs+].[Cs+].[I-].[I-].[I-]
InChIInChI=1S/3Cs.3HI/h;;;3*1H/q3*+1;;;/p-3
InChIKeyXIIBIBHNRAUEPK-UHFFFAOYSA-K
MW779.43 g/mol
LogP-17.98
Rot. Bonds

About tricesium;triiodide

tricesium;triiodide (PubChem CID 71317318) has the molecular formula Cs3I3 and a molecular weight of 779.43 g/mol. Its IUPAC name is tricesium;triiodide.

Molecular Properties

Compound Nametricesium;triiodide
PubChem CID71317318
Molecular FormulaCs3I3
Molecular Weight779.43 g/mol
Exact Mass779.43
IUPAC Nametricesium;triiodide
SMILES[Cs+].[Cs+].[Cs+].[I-].[I-].[I-]
InChIInChI=1S/3Cs.3HI/h;;;3*1H/q3*+1;;;/p-3
InChIKeyXIIBIBHNRAUEPK-UHFFFAOYSA-K
XLogP-17.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.43
LogP ≤ 5-17.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricesium;triiodide?
The IUPAC name of tricesium;triiodide (CID 71317318) is tricesium;triiodide.
What is the SMILES notation for tricesium;triiodide?
The canonical SMILES for tricesium;triiodide is [Cs+].[Cs+].[Cs+].[I-].[I-].[I-].
What is the InChIKey of tricesium;triiodide?
The InChIKey is XIIBIBHNRAUEPK-UHFFFAOYSA-K. The full InChI is InChI=1S/3Cs.3HI/h;;;3*1H/q3*+1;;;/p-3.
What are the key properties of tricesium;triiodide?
tricesium;triiodide has a molecular weight of 779.43 g/mol, XLogP of -17.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricesium;triiodide is sourced from PubChem (CID 71317318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).