ethanesulfonate;ruthenium(3+)

C6H15O9RuS3 — CID 139771626

IUPACethanesulfonate;ruthenium(3+)
SMILESCCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].[Ru+3]
InChIInChI=1S/3C2H6O3S.Ru/c3*1-2-6(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyZIJYSYFVNXRYKK-UHFFFAOYSA-K
MW428.45 g/mol
LogP-1.35
Rot. Bonds3

About ethanesulfonate;ruthenium(3+)

ethanesulfonate;ruthenium(3+) (PubChem CID 139771626) has the molecular formula C6H15O9RuS3 and a molecular weight of 428.45 g/mol. Its IUPAC name is ethanesulfonate;ruthenium(3+).

Molecular Properties

Compound Nameethanesulfonate;ruthenium(3+)
PubChem CID139771626
Molecular FormulaC6H15O9RuS3
Molecular Weight428.45 g/mol
Exact Mass428.89
IUPAC Nameethanesulfonate;ruthenium(3+)
SMILESCCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].[Ru+3]
InChIInChI=1S/3C2H6O3S.Ru/c3*1-2-6(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyZIJYSYFVNXRYKK-UHFFFAOYSA-K
XLogP-1.35
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);ethanesulfonate
CID 175365539
sodium;ethanesulfonate;hydrate
CID 23680479
lithium propane-1-sulfonate
CID 131984534
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
potassium propane-1-sulfonate
CID 23693600
lithium butane-1-sulfonate
CID 23684871
ethanesulfonate;tributyl(methyl)azanium
CID 127262895
potassium ethyl-oxido-oxo-sulfanylidene-λ6-sulfane
CID 23671444
triethyl(fluoro)-λ4-sulfane
CID 141479228
dilithium;ethane-1,2-disulfonate
CID 87246309
sodium;methanethiol;propane-1-sulfonate
CID 175220248
aluminum tris(butane-1-sulfonate)
CID 158588198

Frequently Asked Questions

What is the IUPAC name of ethanesulfonate;ruthenium(3+)?
The IUPAC name of ethanesulfonate;ruthenium(3+) (CID 139771626) is ethanesulfonate;ruthenium(3+).
What is the SMILES notation for ethanesulfonate;ruthenium(3+)?
The canonical SMILES for ethanesulfonate;ruthenium(3+) is CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].[Ru+3].
What is the InChIKey of ethanesulfonate;ruthenium(3+)?
The InChIKey is ZIJYSYFVNXRYKK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H6O3S.Ru/c3*1-2-6(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3.
What are the key properties of ethanesulfonate;ruthenium(3+)?
ethanesulfonate;ruthenium(3+) has a molecular weight of 428.45 g/mol, XLogP of -1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonate;ruthenium(3+) is sourced from PubChem (CID 139771626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).