(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium

C2O4Tl2 — CID 16706493

IUPAC(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium
SMILESO=C(O[Tl])C(=O)O[Tl]
InChIInChI=1S/C2H2O4.2Tl/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
InChIKeyWVNUZODXEDDHRM-UHFFFAOYSA-L
MW496.78 g/mol
LogP-1.76
Rot. Bonds

About (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium

(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium (PubChem CID 16706493) has the molecular formula C2O4Tl2 and a molecular weight of 496.78 g/mol. Its IUPAC name is (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium.

Molecular Properties

Compound Name(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium
PubChem CID16706493
Molecular FormulaC2O4Tl2
Molecular Weight496.78 g/mol
Exact Mass497.93
IUPAC Name(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium
SMILESO=C(O[Tl])C(=O)O[Tl]
InChIInChI=1S/C2H2O4.2Tl/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
InChIKeyWVNUZODXEDDHRM-UHFFFAOYSA-L
XLogP-1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.78
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetyloxythallium
CID 141129894
bis(sulfanyl) oxalate
CID 87196771
carbonic acid;ruthenium
CID 87059075
CID 21196877
CID 21196877
bis(2-amino-2-oxoethyl) oxalate
CID 91566906
dimethyl (Z)-2,3-bis(sulfanyl)but-2-enedioate
CID 6914047
dimethyl oxalate
CID 11120
ruthenium;urea
CID 161030938
carbonodithioic S,S-acid;neodymium
CID 87149190
carbonothioic O,S-acid
CID 173160462
azane;sulfanylcarbonyloxymethanethioic S-acid
CID 175276543
dimethyl oxalate;hydrochloride
CID 172754902

Frequently Asked Questions

What is the IUPAC name of (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium?
The IUPAC name of (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium (CID 16706493) is (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium.
What is the SMILES notation for (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium?
The canonical SMILES for (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium is O=C(O[Tl])C(=O)O[Tl].
What is the InChIKey of (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium?
The InChIKey is WVNUZODXEDDHRM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.2Tl/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2.
What are the key properties of (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium?
(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium has a molecular weight of 496.78 g/mol, XLogP of -1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-λ1-thallanyloxy-2-oxoacetyl)oxythallium is sourced from PubChem (CID 16706493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).