(E)-prop-1-ene-1-sulfonic acid

C3H6O3S — CID 12508396

IUPAC(E)-prop-1-ene-1-sulfonic acid
SMILESC/C=C/S(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+
InChIKeyRAJUSMULYYBNSJ-NSCUHMNNSA-N
MW122.14 g/mol
LogP0.41
Rot. Bonds1

About (E)-prop-1-ene-1-sulfonic acid

(E)-prop-1-ene-1-sulfonic acid (PubChem CID 12508396) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is (E)-prop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-prop-1-ene-1-sulfonic acid
PubChem CID12508396
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name(E)-prop-1-ene-1-sulfonic acid
SMILESC/C=C/S(=O)(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+
InChIKeyRAJUSMULYYBNSJ-NSCUHMNNSA-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 (E)-prop-1-ene-1-sulfonic acid?
The IUPAC name of (E)-prop-1-ene-1-sulfonic acid (CID 12508396) is (E)-prop-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-prop-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-prop-1-ene-1-sulfonic acid is C/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-prop-1-ene-1-sulfonic acid?
The InChIKey is RAJUSMULYYBNSJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+.
What are the key properties of (E)-prop-1-ene-1-sulfonic acid?
(E)-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 (E)-prop-1-ene-1-sulfonic acid is sourced from PubChem (CID 12508396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).