prop-2-ene-1-sulfonic acid

C3H6O3S — CID 17238

IUPACprop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)
InChIKeyUIIIBRHUICCMAI-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.06
Rot. Bonds2

About prop-2-ene-1-sulfonic acid

prop-2-ene-1-sulfonic acid (PubChem CID 17238) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Nameprop-2-ene-1-sulfonic acid
PubChem CID17238
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Nameprop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)
InChIKeyUIIIBRHUICCMAI-UHFFFAOYSA-N
XLogP0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-propene-1-sulfonate
CID 23690996
Prop-2-ene-1-sulfonyl chloride
CID 534496
Sodium prop-2-ene-1-sulfinate
CID 20589136
Prop-2-ene-1-sulfonyl fluoride
CID 87228277
3-Sulfosulfanylprop-1-ene
CID 10582995
Prop-2-ene-1-sulfinic acid
CID 555758
Propylensulfonsaure
CID 12508396
(E)-but-2-ene-1-sulfonic acid
CID 12712111
Propanensulfonic acid
CID 54231337
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
Prop-2-ene-1-sulfinate
CID 4385537
(e)-Butadiene-1-sulfonic acid
CID 13348584

Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1-sulfonic acid?
The IUPAC name of prop-2-ene-1-sulfonic acid (CID 17238) is prop-2-ene-1-sulfonic acid.
What is the SMILES notation for prop-2-ene-1-sulfonic acid?
The canonical SMILES for prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.
What is the InChIKey of prop-2-ene-1-sulfonic acid?
The InChIKey is UIIIBRHUICCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6).
What are the key properties of prop-2-ene-1-sulfonic acid?
prop-2-ene-1-sulfonic acid has a molecular weight of 122.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 17238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).