ethenesulfonic acid;prop-2-ene-1-sulfonic acid

C5H10O6S2 — CID 87136700

IUPACethenesulfonic acid;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=CS(=O)(=O)O
InChIInChI=1S/C3H6O3S.C2H4O3S/c1-2-3-7(4,5)6;1-2-6(3,4)5/h2H,1,3H2,(H,4,5,6);2H,1H2,(H,3,4,5)
InChIKeyHAVPRJGTFKOXPL-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.08
Rot. Bonds3

About ethenesulfonic acid;prop-2-ene-1-sulfonic acid

ethenesulfonic acid;prop-2-ene-1-sulfonic acid (PubChem CID 87136700) has the molecular formula C5H10O6S2 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethenesulfonic acid;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Nameethenesulfonic acid;prop-2-ene-1-sulfonic acid
PubChem CID87136700
Molecular FormulaC5H10O6S2
Molecular Weight230.26 g/mol
Exact Mass229.99
IUPAC Nameethenesulfonic acid;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=CS(=O)(=O)O
InChIInChI=1S/C3H6O3S.C2H4O3S/c1-2-3-7(4,5)6;1-2-6(3,4)5/h2H,1,3H2,(H,4,5,6);2H,1H2,(H,3,4,5)
InChIKeyHAVPRJGTFKOXPL-UHFFFAOYSA-N
XLogP0.08
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87475193
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CID 87111330
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CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of ethenesulfonic acid;prop-2-ene-1-sulfonic acid?
The IUPAC name of ethenesulfonic acid;prop-2-ene-1-sulfonic acid (CID 87136700) is ethenesulfonic acid;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for ethenesulfonic acid;prop-2-ene-1-sulfonic acid?
The canonical SMILES for ethenesulfonic acid;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.C=CS(=O)(=O)O.
What is the InChIKey of ethenesulfonic acid;prop-2-ene-1-sulfonic acid?
The InChIKey is HAVPRJGTFKOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.C2H4O3S/c1-2-3-7(4,5)6;1-2-6(3,4)5/h2H,1,3H2,(H,4,5,6);2H,1H2,(H,3,4,5).
What are the key properties of ethenesulfonic acid;prop-2-ene-1-sulfonic acid?
ethenesulfonic acid;prop-2-ene-1-sulfonic acid has a molecular weight of 230.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfonic acid;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 87136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).