sodium;hydride;phenyl ethenesulfonate

C8H9NaO3S — CID 174175165

IUPACsodium;hydride;phenyl ethenesulfonate
SMILESC=CS(=O)(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H8O3S.Na.H/c1-2-12(9,10)11-8-6-4-3-5-7-8;;/h2-7H,1H2;;/q;+1;-1
InChIKeyIZNFLOLKSFBWLB-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.34
Rot. Bonds3

About sodium;hydride;phenyl ethenesulfonate

sodium;hydride;phenyl ethenesulfonate (PubChem CID 174175165) has the molecular formula C8H9NaO3S and a molecular weight of 208.21 g/mol. Its IUPAC name is sodium;hydride;phenyl ethenesulfonate.

Molecular Properties

Compound Namesodium;hydride;phenyl ethenesulfonate
PubChem CID174175165
Molecular FormulaC8H9NaO3S
Molecular Weight208.21 g/mol
Exact Mass208.02
IUPAC Namesodium;hydride;phenyl ethenesulfonate
SMILESC=CS(=O)(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H8O3S.Na.H/c1-2-12(9,10)11-8-6-4-3-5-7-8;;/h2-7H,1H2;;/q;+1;-1
InChIKeyIZNFLOLKSFBWLB-UHFFFAOYSA-N
XLogP-1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenyl ethenesulfonate?
The IUPAC name of sodium;hydride;phenyl ethenesulfonate (CID 174175165) is sodium;hydride;phenyl ethenesulfonate.
What is the SMILES notation for sodium;hydride;phenyl ethenesulfonate?
The canonical SMILES for sodium;hydride;phenyl ethenesulfonate is C=CS(=O)(=O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenyl ethenesulfonate?
The InChIKey is IZNFLOLKSFBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.Na.H/c1-2-12(9,10)11-8-6-4-3-5-7-8;;/h2-7H,1H2;;/q;+1;-1.
What are the key properties of sodium;hydride;phenyl ethenesulfonate?
sodium;hydride;phenyl ethenesulfonate has a molecular weight of 208.21 g/mol, XLogP of -1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenyl ethenesulfonate is sourced from PubChem (CID 174175165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).