sodium;2-ethenylbenzenesulfinic acid;hydride

C8H9NaO2S — CID 174388285

IUPACsodium;2-ethenylbenzenesulfinic acid;hydride
SMILESC=Cc1ccccc1S(=O)O.[H-].[Na+]
InChIInChI=1S/C8H8O2S.Na.H/c1-2-7-5-3-4-6-8(7)11(9)10;;/h2-6H,1H2,(H,9,10);;/q;+1;-1
InChIKeyPKNDFRXGOZVAAL-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.97
Rot. Bonds2

About sodium;2-ethenylbenzenesulfinic acid;hydride

sodium;2-ethenylbenzenesulfinic acid;hydride (PubChem CID 174388285) has the molecular formula C8H9NaO2S and a molecular weight of 192.22 g/mol. Its IUPAC name is sodium;2-ethenylbenzenesulfinic acid;hydride.

Molecular Properties

Compound Namesodium;2-ethenylbenzenesulfinic acid;hydride
PubChem CID174388285
Molecular FormulaC8H9NaO2S
Molecular Weight192.22 g/mol
Exact Mass192.02
IUPAC Namesodium;2-ethenylbenzenesulfinic acid;hydride
SMILESC=Cc1ccccc1S(=O)O.[H-].[Na+]
InChIInChI=1S/C8H8O2S.Na.H/c1-2-7-5-3-4-6-8(7)11(9)10;;/h2-6H,1H2,(H,9,10);;/q;+1;-1
InChIKeyPKNDFRXGOZVAAL-UHFFFAOYSA-N
XLogP-0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-ethenylbenzenesulfinic acid;hydride?
The IUPAC name of sodium;2-ethenylbenzenesulfinic acid;hydride (CID 174388285) is sodium;2-ethenylbenzenesulfinic acid;hydride.
What is the SMILES notation for sodium;2-ethenylbenzenesulfinic acid;hydride?
The canonical SMILES for sodium;2-ethenylbenzenesulfinic acid;hydride is C=Cc1ccccc1S(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-ethenylbenzenesulfinic acid;hydride?
The InChIKey is PKNDFRXGOZVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S.Na.H/c1-2-7-5-3-4-6-8(7)11(9)10;;/h2-6H,1H2,(H,9,10);;/q;+1;-1.
What are the key properties of sodium;2-ethenylbenzenesulfinic acid;hydride?
sodium;2-ethenylbenzenesulfinic acid;hydride has a molecular weight of 192.22 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethenylbenzenesulfinic acid;hydride is sourced from PubChem (CID 174388285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).