ethanesulfonic acid

C2H6O3S — CID 11668

IUPACethanesulfonic acid
SMILESCCS(=O)(=O)O
InChIInChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyCCIVGXIOQKPBKL-UHFFFAOYSA-N
MW110.13 g/mol
LogP-0.11
Rot. Bonds1

About ethanesulfonic acid

ethanesulfonic acid (PubChem CID 11668) has the molecular formula C2H6O3S and a molecular weight of 110.13 g/mol. Its IUPAC name is ethanesulfonic acid.

Molecular Properties

Compound Nameethanesulfonic acid
PubChem CID11668
Molecular FormulaC2H6O3S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Nameethanesulfonic acid
SMILESCCS(=O)(=O)O
InChIInChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyCCIVGXIOQKPBKL-UHFFFAOYSA-N
XLogP-0.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethanesulfonic acid 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

Mercaptoethanesulfonic acid
CID 598
Ethanesulfonyl chloride
CID 11667
1-Butanesulfonic acid
CID 49935
1-Propanesulfonic acid
CID 78938
Ethanesulfonate
CID 3717105
1,2-Ethanedisulfonic Acid
CID 8032
Sodium ethanesulphonate
CID 4192170
Ethanesulfinic acid
CID 435496
2-Propanesulfonic acid
CID 79392
2-Butanesulfonic acid
CID 3014952
Ethanesulfonic acid sodium salt monohydrate
CID 23680479
2-Propanesulfinic acid
CID 643585

Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid?
The IUPAC name of ethanesulfonic acid (CID 11668) is ethanesulfonic acid.
What is the SMILES notation for ethanesulfonic acid?
The canonical SMILES for ethanesulfonic acid is CCS(=O)(=O)O.
What is the InChIKey of ethanesulfonic acid?
The InChIKey is CCIVGXIOQKPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid?
ethanesulfonic acid has a molecular weight of 110.13 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 is sourced from PubChem (CID 11668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).