(2Z)-penta-2,4-diene-2-sulfonic acid

C5H8O3S — CID 18761983

IUPAC(2Z)-penta-2,4-diene-2-sulfonic acid
SMILESC=C/C=C(/C)S(=O)(=O)O
InChIInChI=1S/C5H8O3S/c1-3-4-5(2)9(6,7)8/h3-4H,1H2,2H3,(H,6,7,8)/b5-4-
InChIKeyZEEZJPRJJLVLAV-PLNGDYQASA-N
MW148.18 g/mol
LogP0.96
Rot. Bonds2

About (2Z)-penta-2,4-diene-2-sulfonic acid

(2Z)-penta-2,4-diene-2-sulfonic acid (PubChem CID 18761983) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is (2Z)-penta-2,4-diene-2-sulfonic acid.

Molecular Properties

Compound Name(2Z)-penta-2,4-diene-2-sulfonic acid
PubChem CID18761983
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name(2Z)-penta-2,4-diene-2-sulfonic acid
SMILESC=C/C=C(/C)S(=O)(=O)O
InChIInChI=1S/C5H8O3S/c1-3-4-5(2)9(6,7)8/h3-4H,1H2,2H3,(H,6,7,8)/b5-4-
InChIKeyZEEZJPRJJLVLAV-PLNGDYQASA-N
XLogP0.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl penta-2,4-diene-2-sulfonate
CID 156767902
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
(3E,5Z)-octa-1,3,5-triene-4-sulfonic acid
CID 89312576
CID 175356762
CID 175356762
(3E)-4-methylhexa-1,3,5-triene-3-sulfonic acid
CID 143434428
(2E,4E)-1-methyliminohexa-2,4-diene-2,5-disulfonic acid
CID 90443156
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
hydroxy-methyl-oxo-prop-2-enylidene-λ6-sulfane
CID 91525917
N-ethylethanamine;penta-2,4-dien-2-ylsulfonylbenzene
CID 175107138
ethenesulfonic acid;2-methylbuta-1,3-diene
CID 162209988
(1E)-1-(2-methylphenyl)buta-1,3-diene-1-sulfonic acid
CID 154979456

Frequently Asked Questions

What is the IUPAC name of (2Z)-penta-2,4-diene-2-sulfonic acid?
The IUPAC name of (2Z)-penta-2,4-diene-2-sulfonic acid (CID 18761983) is (2Z)-penta-2,4-diene-2-sulfonic acid.
What is the SMILES notation for (2Z)-penta-2,4-diene-2-sulfonic acid?
The canonical SMILES for (2Z)-penta-2,4-diene-2-sulfonic acid is C=C/C=C(/C)S(=O)(=O)O.
What is the InChIKey of (2Z)-penta-2,4-diene-2-sulfonic acid?
The InChIKey is ZEEZJPRJJLVLAV-PLNGDYQASA-N. The full InChI is InChI=1S/C5H8O3S/c1-3-4-5(2)9(6,7)8/h3-4H,1H2,2H3,(H,6,7,8)/b5-4-.
What are the key properties of (2Z)-penta-2,4-diene-2-sulfonic acid?
(2Z)-penta-2,4-diene-2-sulfonic acid has a molecular weight of 148.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-penta-2,4-diene-2-sulfonic acid is sourced from PubChem (CID 18761983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).