ethanesulfonic acid;zinc

C2H6O3SZn — CID 87105443

IUPACethanesulfonic acid;zinc
SMILESCCS(=O)(=O)O.[Zn]
InChIInChI=1S/C2H6O3S.Zn/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);
InChIKeyBFSYMAQRPRBNHX-UHFFFAOYSA-N
MW175.52 g/mol
LogP-0.11
Rot. Bonds1

About ethanesulfonic acid;zinc

ethanesulfonic acid;zinc (PubChem CID 87105443) has the molecular formula C2H6O3SZn and a molecular weight of 175.52 g/mol. Its IUPAC name is ethanesulfonic acid;zinc.

Molecular Properties

Compound Nameethanesulfonic acid;zinc
PubChem CID87105443
Molecular FormulaC2H6O3SZn
Molecular Weight175.52 g/mol
Exact Mass173.93
IUPAC Nameethanesulfonic acid;zinc
SMILESCCS(=O)(=O)O.[Zn]
InChIInChI=1S/C2H6O3S.Zn/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);
InChIKeyBFSYMAQRPRBNHX-UHFFFAOYSA-N
XLogP-0.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.52
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethanesulfonic acid;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanesulfonic acid;hexahydrofluoride
CID 174503180
cobalt;ethanesulfonic acid
CID 162463828
CID 172802604
CID 172802604
butane;ethanesulfonic acid;propane
CID 174496199
ethanesulfonic acid;ethanethiol
CID 22731724
ethanesulfonic acid;formic acid
CID 87503053
ethanesulfonic acid;urea
CID 159375044
ethanesulfonic acid;pentane
CID 174496196
butane;sulfuric acid;zinc
CID 175431012
ethanesulfonic acid;propane-1,3-diol
CID 87127973
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016

Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;zinc?
The IUPAC name of ethanesulfonic acid;zinc (CID 87105443) is ethanesulfonic acid;zinc.
What is the SMILES notation for ethanesulfonic acid;zinc?
The canonical SMILES for ethanesulfonic acid;zinc is CCS(=O)(=O)O.[Zn].
What is the InChIKey of ethanesulfonic acid;zinc?
The InChIKey is BFSYMAQRPRBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.Zn/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);.
What are the key properties of ethanesulfonic acid;zinc?
ethanesulfonic acid;zinc has a molecular weight of 175.52 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;zinc is sourced from PubChem (CID 87105443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).