hydron;thallium(1+);sulfate

HO4STl — CID 22764822

IUPAChydron;thallium(1+);sulfate
SMILESO=S(=O)([O-])[O-].[H+].[Tl+]
InChIInChI=1S/H2O4S.Tl/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+1/p-1
InChIKeyJOXCSFQEMKQRBM-UHFFFAOYSA-M
MW301.45 g/mol
LogP-1.61
Rot. Bonds

About hydron;thallium(1+);sulfate

hydron;thallium(1+);sulfate (PubChem CID 22764822) has the molecular formula HO4STl and a molecular weight of 301.45 g/mol. Its IUPAC name is hydron;thallium(1+);sulfate.

Molecular Properties

Compound Namehydron;thallium(1+);sulfate
PubChem CID22764822
Molecular FormulaHO4STl
Molecular Weight301.45 g/mol
Exact Mass301.93
IUPAC Namehydron;thallium(1+);sulfate
SMILESO=S(=O)([O-])[O-].[H+].[Tl+]
InChIInChI=1S/H2O4S.Tl/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+1/p-1
InChIKeyJOXCSFQEMKQRBM-UHFFFAOYSA-M
XLogP-1.61
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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dicalcium;sulfate
CID 23431966
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CID 173042063
dilithium;cobalt;sulfate
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octaazanium;tetrasulfate
CID 86742620
CID 23615458
CID 23615458
azanium sulfate
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octacosacopper;pentasulfate
CID 173053964
cerium trisulfate
CID 160867766

Frequently Asked Questions

What is the IUPAC name of hydron;thallium(1+);sulfate?
The IUPAC name of hydron;thallium(1+);sulfate (CID 22764822) is hydron;thallium(1+);sulfate.
What is the SMILES notation for hydron;thallium(1+);sulfate?
The canonical SMILES for hydron;thallium(1+);sulfate is O=S(=O)([O-])[O-].[H+].[Tl+].
What is the InChIKey of hydron;thallium(1+);sulfate?
The InChIKey is JOXCSFQEMKQRBM-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O4S.Tl/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+1/p-1.
What are the key properties of hydron;thallium(1+);sulfate?
hydron;thallium(1+);sulfate has a molecular weight of 301.45 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;thallium(1+);sulfate is sourced from PubChem (CID 22764822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).