prop-1-ene-1-sulfonic acid

C3H6O3S — CID 54231337

IUPACprop-1-ene-1-sulfonic acid
SMILESCC=CS(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)
InChIKeyRAJUSMULYYBNSJ-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.41
Rot. Bonds1

About prop-1-ene-1-sulfonic acid

prop-1-ene-1-sulfonic acid (PubChem CID 54231337) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is prop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Nameprop-1-ene-1-sulfonic acid
PubChem CID54231337
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Nameprop-1-ene-1-sulfonic acid
SMILESCC=CS(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)
InChIKeyRAJUSMULYYBNSJ-UHFFFAOYSA-N
XLogP0.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1-sulfonic acid?
The IUPAC name of prop-1-ene-1-sulfonic acid (CID 54231337) is prop-1-ene-1-sulfonic acid.
What is the SMILES notation for prop-1-ene-1-sulfonic acid?
The canonical SMILES for prop-1-ene-1-sulfonic acid is CC=CS(=O)(=O)O.
What is the InChIKey of prop-1-ene-1-sulfonic acid?
The InChIKey is RAJUSMULYYBNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6).
What are the key properties of prop-1-ene-1-sulfonic acid?
prop-1-ene-1-sulfonic acid has a molecular weight of 122.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1-sulfonic acid is sourced from PubChem (CID 54231337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).