sodium ethanesulfinic acid

C2H6NaO2S+ — CID 19960758

IUPACsodium ethanesulfinic acid
SMILESCCS(=O)O.[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1
InChIKeyUWIVVFQECQYHOB-UHFFFAOYSA-N
MW117.12 g/mol
LogP-2.77
Rot. Bonds1

About sodium ethanesulfinic acid

sodium ethanesulfinic acid (PubChem CID 19960758) has the molecular formula C2H6NaO2S+ and a molecular weight of 117.12 g/mol. Its IUPAC name is sodium ethanesulfinic acid.

Molecular Properties

Compound Namesodium ethanesulfinic acid
PubChem CID19960758
Molecular FormulaC2H6NaO2S+
Molecular Weight117.12 g/mol
Exact Mass117.00
IUPAC Namesodium ethanesulfinic acid
SMILESCCS(=O)O.[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1
InChIKeyUWIVVFQECQYHOB-UHFFFAOYSA-N
XLogP-2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanesulfinamide;hydrochloride
CID 155487048
sodium;hexane-1-sulfinic acid;hydride
CID 173414906
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
ethane-1,2-disulfinic acid
CID 15180980
ethanol;sulfur trioxide
CID 88617255
ethoxymethanesulfinic acid
CID 57208749
1-ethylsulfinylpropan-2-one
CID 45085426
ethyliodanuidylmethanesulfinic acid
CID 159204523
butan-2-one;sulfurous acid
CID 19882018
potassium;butane;hydrogen sulfite
CID 174393404
pentadecane-1-sulfinic acid
CID 20739365
ethyl-methylidyne-oxo-λ6-sulfane
CID 145181210

Frequently Asked Questions

What is the IUPAC name of sodium ethanesulfinic acid?
The IUPAC name of sodium ethanesulfinic acid (CID 19960758) is sodium ethanesulfinic acid.
What is the SMILES notation for sodium ethanesulfinic acid?
The canonical SMILES for sodium ethanesulfinic acid is CCS(=O)O.[Na+].
What is the InChIKey of sodium ethanesulfinic acid?
The InChIKey is UWIVVFQECQYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1.
What are the key properties of sodium ethanesulfinic acid?
sodium ethanesulfinic acid has a molecular weight of 117.12 g/mol, XLogP of -2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethanesulfinic acid is sourced from PubChem (CID 19960758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).