sodium 1-hydroxyethanesulfinate

C2H5NaO3S — CID 23663639

IUPACsodium 1-hydroxyethanesulfinate
SMILESCC(O)S(=O)[O-].[Na+]
InChIInChI=1S/C2H6O3S.Na/c1-2(3)6(4)5;/h2-3H,1H3,(H,4,5);/q;+1/p-1
InChIKeyLQWPNAQCWBEFEP-UHFFFAOYSA-M
MW132.12 g/mol
LogP-3.79
Rot. Bonds1

About sodium 1-hydroxyethanesulfinate

sodium 1-hydroxyethanesulfinate (PubChem CID 23663639) has the molecular formula C2H5NaO3S and a molecular weight of 132.12 g/mol. Its IUPAC name is sodium 1-hydroxyethanesulfinate.

Molecular Properties

Compound Namesodium 1-hydroxyethanesulfinate
PubChem CID23663639
Molecular FormulaC2H5NaO3S
Molecular Weight132.12 g/mol
Exact Mass131.99
IUPAC Namesodium 1-hydroxyethanesulfinate
SMILESCC(O)S(=O)[O-].[Na+]
InChIInChI=1S/C2H6O3S.Na/c1-2(3)6(4)5;/h2-3H,1H3,(H,4,5);/q;+1/p-1
InChIKeyLQWPNAQCWBEFEP-UHFFFAOYSA-M
XLogP-3.79
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-3.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-hydroxyethanesulfinate?
The IUPAC name of sodium 1-hydroxyethanesulfinate (CID 23663639) is sodium 1-hydroxyethanesulfinate.
What is the SMILES notation for sodium 1-hydroxyethanesulfinate?
The canonical SMILES for sodium 1-hydroxyethanesulfinate is CC(O)S(=O)[O-].[Na+].
What is the InChIKey of sodium 1-hydroxyethanesulfinate?
The InChIKey is LQWPNAQCWBEFEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O3S.Na/c1-2(3)6(4)5;/h2-3H,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium 1-hydroxyethanesulfinate?
sodium 1-hydroxyethanesulfinate has a molecular weight of 132.12 g/mol, XLogP of -3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-hydroxyethanesulfinate is sourced from PubChem (CID 23663639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).