sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride

C4H7NaO5S — CID 173460777

IUPACsodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride
SMILESC=COC(=O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O5S.Na.H/c1-2-9-4(5)3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1
InChIKeyCAVURABULWHPLW-UHFFFAOYSA-N
MW190.15 g/mol
LogP-3.32
Rot. Bonds3

About sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride

sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride (PubChem CID 173460777) has the molecular formula C4H7NaO5S and a molecular weight of 190.15 g/mol. Its IUPAC name is sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride
PubChem CID173460777
Molecular FormulaC4H7NaO5S
Molecular Weight190.15 g/mol
Exact Mass189.99
IUPAC Namesodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride
SMILESC=COC(=O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O5S.Na.H/c1-2-9-4(5)3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1
InChIKeyCAVURABULWHPLW-UHFFFAOYSA-N
XLogP-3.32
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Ethenesulfonic acid;ethenyl acetate
CID 20239941
2-Ethenoxy-2-oxoethanesulfonic acid
CID 21559482
2-Ethenoxy-2-oxoethanesulfonate
CID 59148753
2-Ethenoxysulfonylacetic acid
CID 88089573
CID 88838699
CID 88838699
Sodium 2-ethenoxy-2-oxoethanesulfonate
CID 88838700
4-Ethenoxy-4-oxobutane-1-sulfonic acid
CID 101647033
2-Propanoyloxyethenesulfonic acid
CID 123203448
Vinyl acetate sodium ethylenesulfonate
CID 131710246
Ethenyl acetate;2-hydroxyethanesulfonic acid
CID 155352136
Ethenyl acetate;propane-1-sulfonic acid
CID 158436375
Butane-1-sulfonic acid;ethenyl acetate
CID 158689658

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride?
The IUPAC name of sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride (CID 173460777) is sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride.
What is the SMILES notation for sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride?
The canonical SMILES for sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride is C=COC(=O)CS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride?
The InChIKey is CAVURABULWHPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5S.Na.H/c1-2-9-4(5)3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride?
sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride has a molecular weight of 190.15 g/mol, XLogP of -3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethenoxy-2-oxoethanesulfonic acid;hydride is sourced from PubChem (CID 173460777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).