sodium;ethenesulfonic acid;hydride;hydrate

C2H7NaO4S — CID 174630321

IUPACsodium;ethenesulfonic acid;hydride;hydrate
SMILESC=CS(=O)(=O)O.O.[H-].[Na+]
InChIInChI=1S/C2H4O3S.Na.H2O.H/c1-2-6(3,4)5;;;/h2H,1H2,(H,3,4,5);;1H2;/q;+1;;-1
InChIKeyMJCFXYYXMLUFKF-UHFFFAOYSA-N
MW150.13 g/mol
LogP-3.69
Rot. Bonds1

About sodium;ethenesulfonic acid;hydride;hydrate

sodium;ethenesulfonic acid;hydride;hydrate (PubChem CID 174630321) has the molecular formula C2H7NaO4S and a molecular weight of 150.13 g/mol. Its IUPAC name is sodium;ethenesulfonic acid;hydride;hydrate.

Molecular Properties

Compound Namesodium;ethenesulfonic acid;hydride;hydrate
PubChem CID174630321
Molecular FormulaC2H7NaO4S
Molecular Weight150.13 g/mol
Exact Mass150.00
IUPAC Namesodium;ethenesulfonic acid;hydride;hydrate
SMILESC=CS(=O)(=O)O.O.[H-].[Na+]
InChIInChI=1S/C2H4O3S.Na.H2O.H/c1-2-6(3,4)5;;;/h2H,1H2,(H,3,4,5);;1H2;/q;+1;;-1
InChIKeyMJCFXYYXMLUFKF-UHFFFAOYSA-N
XLogP-3.69
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-3.69
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 sodium;ethenesulfonic acid;hydride;hydrate?
The IUPAC name of sodium;ethenesulfonic acid;hydride;hydrate (CID 174630321) is sodium;ethenesulfonic acid;hydride;hydrate.
What is the SMILES notation for sodium;ethenesulfonic acid;hydride;hydrate?
The canonical SMILES for sodium;ethenesulfonic acid;hydride;hydrate is C=CS(=O)(=O)O.O.[H-].[Na+].
What is the InChIKey of sodium;ethenesulfonic acid;hydride;hydrate?
The InChIKey is MJCFXYYXMLUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S.Na.H2O.H/c1-2-6(3,4)5;;;/h2H,1H2,(H,3,4,5);;1H2;/q;+1;;-1.
What are the key properties of sodium;ethenesulfonic acid;hydride;hydrate?
sodium;ethenesulfonic acid;hydride;hydrate has a molecular weight of 150.13 g/mol, XLogP of -3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenesulfonic acid;hydride;hydrate is sourced from PubChem (CID 174630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).