thallium(1+);acetate;hydroiodide

C2H4IO2Tl — CID 22996234

IUPACthallium(1+);acetate;hydroiodide
SMILESCC(=O)[O-].I.[Tl+]
InChIInChI=1S/C2H4O2.HI.Tl/c1-2(3)4;;/h1H3,(H,3,4);1H;/q;;+1/p-1
InChIKeySSWGYYZQKKSMAE-UHFFFAOYSA-M
MW391.34 g/mol
LogP-1.01
Rot. Bonds

About thallium(1+);acetate;hydroiodide

thallium(1+);acetate;hydroiodide (PubChem CID 22996234) has the molecular formula C2H4IO2Tl and a molecular weight of 391.34 g/mol. Its IUPAC name is thallium(1+);acetate;hydroiodide.

Molecular Properties

Compound Namethallium(1+);acetate;hydroiodide
PubChem CID22996234
Molecular FormulaC2H4IO2Tl
Molecular Weight391.34 g/mol
Exact Mass391.90
IUPAC Namethallium(1+);acetate;hydroiodide
SMILESCC(=O)[O-].I.[Tl+]
InChIInChI=1S/C2H4O2.HI.Tl/c1-2(3)4;;/h1H3,(H,3,4);1H;/q;;+1/p-1
InChIKeySSWGYYZQKKSMAE-UHFFFAOYSA-M
XLogP-1.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);acetate;hydroiodide
CID 175324821
tricalcium diacetate
CID 19804487
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
nonasodium;nonaacetate
CID 173443222
tris(barium(2+)) diacetate
CID 19804496
uranium(4+) tetraacetate
CID 51035191

Frequently Asked Questions

What is the IUPAC name of thallium(1+);acetate;hydroiodide?
The IUPAC name of thallium(1+);acetate;hydroiodide (CID 22996234) is thallium(1+);acetate;hydroiodide.
What is the SMILES notation for thallium(1+);acetate;hydroiodide?
The canonical SMILES for thallium(1+);acetate;hydroiodide is CC(=O)[O-].I.[Tl+].
What is the InChIKey of thallium(1+);acetate;hydroiodide?
The InChIKey is SSWGYYZQKKSMAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.HI.Tl/c1-2(3)4;;/h1H3,(H,3,4);1H;/q;;+1/p-1.
What are the key properties of thallium(1+);acetate;hydroiodide?
thallium(1+);acetate;hydroiodide has a molecular weight of 391.34 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thallium(1+);acetate;hydroiodide is sourced from PubChem (CID 22996234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).