copper(1+);ethanesulfonate

C2H5CuO3S — CID 175365539

IUPACcopper(1+);ethanesulfonate
SMILESCCS(=O)(=O)[O-].[Cu+]
InChIInChI=1S/C2H6O3S.Cu/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyOVNAPKGVUFMWLP-UHFFFAOYSA-M
MW172.67 g/mol
LogP-0.45
Rot. Bonds1

About copper(1+);ethanesulfonate

copper(1+);ethanesulfonate (PubChem CID 175365539) has the molecular formula C2H5CuO3S and a molecular weight of 172.67 g/mol. Its IUPAC name is copper(1+);ethanesulfonate.

Molecular Properties

Compound Namecopper(1+);ethanesulfonate
PubChem CID175365539
Molecular FormulaC2H5CuO3S
Molecular Weight172.67 g/mol
Exact Mass171.93
IUPAC Namecopper(1+);ethanesulfonate
SMILESCCS(=O)(=O)[O-].[Cu+]
InChIInChI=1S/C2H6O3S.Cu/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyOVNAPKGVUFMWLP-UHFFFAOYSA-M
XLogP-0.45
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.67
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanesulfonate;ruthenium(3+)
CID 139771626
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 copper(1+);ethanesulfonate?
The IUPAC name of copper(1+);ethanesulfonate (CID 175365539) is copper(1+);ethanesulfonate.
What is the SMILES notation for copper(1+);ethanesulfonate?
The canonical SMILES for copper(1+);ethanesulfonate is CCS(=O)(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);ethanesulfonate?
The InChIKey is OVNAPKGVUFMWLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O3S.Cu/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1.
What are the key properties of copper(1+);ethanesulfonate?
copper(1+);ethanesulfonate has a molecular weight of 172.67 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);ethanesulfonate is sourced from PubChem (CID 175365539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).