benzenesulfonate;thorium(4+)

C24H20O12S4Th — CID 158251260

IUPACbenzenesulfonate;thorium(4+)
SMILESO=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Th+4]
InChIInChI=1S/4C6H6O3S.Th/c4*7-10(8,9)6-4-2-1-3-5-6;/h4*1-5H,(H,7,8,9);/q;;;;+4/p-4
InChIKeyGGSXVZHBSOKIDU-UHFFFAOYSA-J
MW860.72 g/mol
LogP2.36
Rot. Bonds4

About benzenesulfonate;thorium(4+)

benzenesulfonate;thorium(4+) (PubChem CID 158251260) has the molecular formula C24H20O12S4Th and a molecular weight of 860.72 g/mol. Its IUPAC name is benzenesulfonate;thorium(4+).

Molecular Properties

Compound Namebenzenesulfonate;thorium(4+)
PubChem CID158251260
Molecular FormulaC24H20O12S4Th
Molecular Weight860.72 g/mol
Exact Mass860.02
IUPAC Namebenzenesulfonate;thorium(4+)
SMILESO=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Th+4]
InChIInChI=1S/4C6H6O3S.Th/c4*7-10(8,9)6-4-2-1-3-5-6;/h4*1-5H,(H,7,8,9);/q;;;;+4/p-4
InChIKeyGGSXVZHBSOKIDU-UHFFFAOYSA-J
XLogP2.36
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.72
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;thorium(4+)?
The IUPAC name of benzenesulfonate;thorium(4+) (CID 158251260) is benzenesulfonate;thorium(4+).
What is the SMILES notation for benzenesulfonate;thorium(4+)?
The canonical SMILES for benzenesulfonate;thorium(4+) is O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Th+4].
What is the InChIKey of benzenesulfonate;thorium(4+)?
The InChIKey is GGSXVZHBSOKIDU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H6O3S.Th/c4*7-10(8,9)6-4-2-1-3-5-6;/h4*1-5H,(H,7,8,9);/q;;;;+4/p-4.
What are the key properties of benzenesulfonate;thorium(4+)?
benzenesulfonate;thorium(4+) has a molecular weight of 860.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;thorium(4+) is sourced from PubChem (CID 158251260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).