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

C3H6O3S — CID 59687204

IUPAC(Z)-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-IHWYPQMZSA-N
MW122.14 g/mol
LogP0.41
Rot. Bonds1

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

(Z)-prop-1-ene-1-sulfonic acid (PubChem CID 59687204) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is (Z)-prop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(Z)-prop-1-ene-1-sulfonic acid
PubChem CID59687204
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name(Z)-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-IHWYPQMZSA-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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Related Compounds

(E)-3-oxobut-1-ene-1-sulfonic acid
CID 23464061
(1E,3E,5Z)-4-(methylamino)hepta-1,3,5-triene-1-sulfonic acid
CID 142857345
sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid
CID 175556625
2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
CID 158046501
3-methoxyprop-1-ene-1-sulfonic acid
CID 154493989
(E)-3-aminoprop-1-ene-1-sulfonic acid
CID 87091905
(NE)-N-ethylidenehydroxylamine;sulfuric acid
CID 118485193
N-hydroxyformamide;methanesulfonic acid
CID 174740545
2-propoxyethenesulfonic acid
CID 76548154
dihydroxy-oxo-tellanylidene-λ6-sulfane
CID 175890496
hexa-2,4-diene-2-sulfonic acid
CID 91299150
methanol;sulfuric acid
CID 174902694

Frequently Asked Questions

What is the IUPAC name of (Z)-prop-1-ene-1-sulfonic acid?
The IUPAC name of (Z)-prop-1-ene-1-sulfonic acid (CID 59687204) is (Z)-prop-1-ene-1-sulfonic acid.
What is the SMILES notation for (Z)-prop-1-ene-1-sulfonic acid?
The canonical SMILES for (Z)-prop-1-ene-1-sulfonic acid is C/C=C\S(=O)(=O)O.
What is the InChIKey of (Z)-prop-1-ene-1-sulfonic acid?
The InChIKey is RAJUSMULYYBNSJ-IHWYPQMZSA-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 (Z)-prop-1-ene-1-sulfonic acid?
(Z)-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 (Z)-prop-1-ene-1-sulfonic acid is sourced from PubChem (CID 59687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).