(Z)-but-2-ene-2-sulfonic acid

C4H8O3S — CID 18644924

IUPAC(Z)-but-2-ene-2-sulfonic acid
SMILESC/C=C(/C)S(=O)(=O)O
InChIInChI=1S/C4H8O3S/c1-3-4(2)8(5,6)7/h3H,1-2H3,(H,5,6,7)/b4-3-
InChIKeyXZSFYGAQHBNTKT-ARJAWSKDSA-N
MW136.17 g/mol
LogP0.80
Rot. Bonds1

About (Z)-but-2-ene-2-sulfonic acid

(Z)-but-2-ene-2-sulfonic acid (PubChem CID 18644924) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (Z)-but-2-ene-2-sulfonic acid.

Molecular Properties

Compound Name(Z)-but-2-ene-2-sulfonic acid
PubChem CID18644924
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(Z)-but-2-ene-2-sulfonic acid
SMILESC/C=C(/C)S(=O)(=O)O
InChIInChI=1S/C4H8O3S/c1-3-4(2)8(5,6)7/h3H,1-2H3,(H,5,6,7)/b4-3-
InChIKeyXZSFYGAQHBNTKT-ARJAWSKDSA-N
XLogP0.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.80
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 (Z)-but-2-ene-2-sulfonic acid?
The IUPAC name of (Z)-but-2-ene-2-sulfonic acid (CID 18644924) is (Z)-but-2-ene-2-sulfonic acid.
What is the SMILES notation for (Z)-but-2-ene-2-sulfonic acid?
The canonical SMILES for (Z)-but-2-ene-2-sulfonic acid is C/C=C(/C)S(=O)(=O)O.
What is the InChIKey of (Z)-but-2-ene-2-sulfonic acid?
The InChIKey is XZSFYGAQHBNTKT-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8O3S/c1-3-4(2)8(5,6)7/h3H,1-2H3,(H,5,6,7)/b4-3-.
What are the key properties of (Z)-but-2-ene-2-sulfonic acid?
(Z)-but-2-ene-2-sulfonic acid has a molecular weight of 136.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene-2-sulfonic acid is sourced from PubChem (CID 18644924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).