2-ethenoxyethanesulfonic acid

C4H8O4S — CID 21496865

IUPAC2-ethenoxyethanesulfonic acid
SMILESC=COCCS(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2,(H,5,6,7)
InChIKeyXONBWWHTYGWFIC-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.03
Rot. Bonds4

About 2-ethenoxyethanesulfonic acid

2-ethenoxyethanesulfonic acid (PubChem CID 21496865) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-ethenoxyethanesulfonic acid.

Molecular Properties

Compound Name2-ethenoxyethanesulfonic acid
PubChem CID21496865
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name2-ethenoxyethanesulfonic acid
SMILESC=COCCS(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2,(H,5,6,7)
InChIKeyXONBWWHTYGWFIC-UHFFFAOYSA-N
XLogP0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-ethenoxyethanesulfonic 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

Fluoro 2-ethenoxyethanesulfonate
CID 87852213
2-(2-Ethoxyethenoxy)ethanesulfonyl fluoride
CID 140002257
3-Ethenoxypropane-1-sulfonic acid
CID 10176290
2-Ethenoxysulfonylethanesulfonic acid
CID 21850931
1-Ethenoxypropane-1-sulfonic acid
CID 23057342
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398
Potassium 3-ethenoxypropane-1-sulfonate
CID 58689616
Sodium 3-ethenoxypropane-1-sulfonate
CID 58689638
2-Propoxyethenesulfonic acid
CID 76548154
1-Ethenoxybutane-2-sulfonic acid
CID 87063469
1-Ethenoxyethanesulfonic acid
CID 87795393
5-Ethenoxypentane-1-sulfonic acid
CID 87968723

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethanesulfonic acid?
The IUPAC name of 2-ethenoxyethanesulfonic acid (CID 21496865) is 2-ethenoxyethanesulfonic acid.
What is the SMILES notation for 2-ethenoxyethanesulfonic acid?
The canonical SMILES for 2-ethenoxyethanesulfonic acid is C=COCCS(=O)(=O)O.
What is the InChIKey of 2-ethenoxyethanesulfonic acid?
The InChIKey is XONBWWHTYGWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2,(H,5,6,7).
What are the key properties of 2-ethenoxyethanesulfonic acid?
2-ethenoxyethanesulfonic acid has a molecular weight of 152.17 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethanesulfonic acid is sourced from PubChem (CID 21496865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).