ethenol;prop-2-ene-1-sulfonic acid

C5H10O4S — CID 174528992

IUPACethenol;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=CO
InChIInChI=1S/C3H6O3S.C2H4O/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2,(H,4,5,6);2-3H,1H2
InChIKeyOOERSTSJXFNRKF-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.75
Rot. Bonds2

About ethenol;prop-2-ene-1-sulfonic acid

ethenol;prop-2-ene-1-sulfonic acid (PubChem CID 174528992) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is ethenol;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Nameethenol;prop-2-ene-1-sulfonic acid
PubChem CID174528992
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Nameethenol;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=CO
InChIInChI=1S/C3H6O3S.C2H4O/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2,(H,4,5,6);2-3H,1H2
InChIKeyOOERSTSJXFNRKF-UHFFFAOYSA-N
XLogP0.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
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CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of ethenol;prop-2-ene-1-sulfonic acid?
The IUPAC name of ethenol;prop-2-ene-1-sulfonic acid (CID 174528992) is ethenol;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for ethenol;prop-2-ene-1-sulfonic acid?
The canonical SMILES for ethenol;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.C=CO.
What is the InChIKey of ethenol;prop-2-ene-1-sulfonic acid?
The InChIKey is OOERSTSJXFNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.C2H4O/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2,(H,4,5,6);2-3H,1H2.
What are the key properties of ethenol;prop-2-ene-1-sulfonic acid?
ethenol;prop-2-ene-1-sulfonic acid has a molecular weight of 166.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 174528992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).