6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))

C4H2N2O2STl2 — CID 139046263

IUPAC6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))
SMILESO=c1cc([O-])nc([S-])[nH]1.[Tl+].[Tl+]
InChIInChI=1S/C4H4N2O2S.2Tl/c7-2-1-3(8)6-4(9)5-2;;/h1H,(H3,5,6,7,8,9);;/q;2*+1/p-2
InChIKeyHWPUCVLVLOCEIC-UHFFFAOYSA-L
MW550.90 g/mol
LogP-2.01
Rot. Bonds

About 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))

6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)) (PubChem CID 139046263) has the molecular formula C4H2N2O2STl2 and a molecular weight of 550.90 g/mol. Its IUPAC name is 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)).

Molecular Properties

Compound Name6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))
PubChem CID139046263
Molecular FormulaC4H2N2O2STl2
Molecular Weight550.90 g/mol
Exact Mass551.93
IUPAC Name6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))
SMILESO=c1cc([O-])nc([S-])[nH]1.[Tl+].[Tl+]
InChIInChI=1S/C4H4N2O2S.2Tl/c7-2-1-3(8)6-4(9)5-2;;/h1H,(H3,5,6,7,8,9);;/q;2*+1/p-2
InChIKeyHWPUCVLVLOCEIC-UHFFFAOYSA-L
XLogP-2.01
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.90
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))?
The IUPAC name of 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)) (CID 139046263) is 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)).
What is the SMILES notation for 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))?
The canonical SMILES for 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)) is O=c1cc([O-])nc([S-])[nH]1.[Tl+].[Tl+].
What is the InChIKey of 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))?
The InChIKey is HWPUCVLVLOCEIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H4N2O2S.2Tl/c7-2-1-3(8)6-4(9)5-2;;/h1H,(H3,5,6,7,8,9);;/q;2*+1/p-2.
What are the key properties of 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))?
6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)) has a molecular weight of 550.90 g/mol, XLogP of -2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+)) is sourced from PubChem (CID 139046263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).