sodium;ethene;prop-2-ene-1-sulfonate

C5H9NaO3S — CID 174838535

IUPACsodium;ethene;prop-2-ene-1-sulfonate
SMILESC=C.C=CCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3S.C2H4.Na/c1-2-3-7(4,5)6;1-2;/h2H,1,3H2,(H,4,5,6);1-2H2;/q;;+1/p-1
InChIKeyLEDBWNVZWHLJNG-UHFFFAOYSA-M
MW172.18 g/mol
LogP-2.48
Rot. Bonds2

About sodium;ethene;prop-2-ene-1-sulfonate

sodium;ethene;prop-2-ene-1-sulfonate (PubChem CID 174838535) has the molecular formula C5H9NaO3S and a molecular weight of 172.18 g/mol. Its IUPAC name is sodium;ethene;prop-2-ene-1-sulfonate.

Molecular Properties

Compound Namesodium;ethene;prop-2-ene-1-sulfonate
PubChem CID174838535
Molecular FormulaC5H9NaO3S
Molecular Weight172.18 g/mol
Exact Mass172.02
IUPAC Namesodium;ethene;prop-2-ene-1-sulfonate
SMILESC=C.C=CCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3S.C2H4.Na/c1-2-3-7(4,5)6;1-2;/h2H,1,3H2,(H,4,5,6);1-2H2;/q;;+1/p-1
InChIKeyLEDBWNVZWHLJNG-UHFFFAOYSA-M
XLogP-2.48
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

sodium;prop-2-ene-1-sulfonate;1,2-xylene
CID 122461988
sodium;ethene;ethenol;ethenyl acetate;prop-2-ene-1-sulfonate
CID 174897822
sodium;2-methylidenepent-4-enamide;prop-2-ene-1-sulfonate
CID 175518990
1,1-dimethylpiperidin-1-ium;prop-2-ene-1-sulfonate
CID 88537317
prop-2-ene-1-sulfonate;tetraphenylphosphanium
CID 87367569
1-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]-3,5-dimethylpyridin-1-ium;bis(prop-2-ene-1-sulfonate)
CID 88537108
sodium but-3-ene-1-sulfonate
CID 87275888
prop-2-ene-1-sulfonate;trioctyl(prop-2-enyl)azanium
CID 122446336
1-ethyl-3-methylpyrrolidin-1-ium;prop-2-ene-1-sulfonate
CID 88537087
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
disodium;ethene;sulfate
CID 161033718

Frequently Asked Questions

What is the IUPAC name of sodium;ethene;prop-2-ene-1-sulfonate?
The IUPAC name of sodium;ethene;prop-2-ene-1-sulfonate (CID 174838535) is sodium;ethene;prop-2-ene-1-sulfonate.
What is the SMILES notation for sodium;ethene;prop-2-ene-1-sulfonate?
The canonical SMILES for sodium;ethene;prop-2-ene-1-sulfonate is C=C.C=CCS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;ethene;prop-2-ene-1-sulfonate?
The InChIKey is LEDBWNVZWHLJNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.C2H4.Na/c1-2-3-7(4,5)6;1-2;/h2H,1,3H2,(H,4,5,6);1-2H2;/q;;+1/p-1.
What are the key properties of sodium;ethene;prop-2-ene-1-sulfonate?
sodium;ethene;prop-2-ene-1-sulfonate has a molecular weight of 172.18 g/mol, XLogP of -2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethene;prop-2-ene-1-sulfonate is sourced from PubChem (CID 174838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).