sodium ethyl sulfite

C2H5NaO3S — CID 23687551

IUPACsodium ethyl sulfite
SMILESCCOS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O3S.Na/c1-2-5-6(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyOXRILMCCGJTGOH-UHFFFAOYSA-M
MW132.12 g/mol
LogP-3.18
Rot. Bonds2

About sodium ethyl sulfite

sodium ethyl sulfite (PubChem CID 23687551) has the molecular formula C2H5NaO3S and a molecular weight of 132.12 g/mol. Its IUPAC name is sodium ethyl sulfite.

Molecular Properties

Compound Namesodium ethyl sulfite
PubChem CID23687551
Molecular FormulaC2H5NaO3S
Molecular Weight132.12 g/mol
Exact Mass131.99
IUPAC Namesodium ethyl sulfite
SMILESCCOS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O3S.Na/c1-2-5-6(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyOXRILMCCGJTGOH-UHFFFAOYSA-M
XLogP-3.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium ethyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium ethyl sulfite?
The IUPAC name of sodium ethyl sulfite (CID 23687551) is sodium ethyl sulfite.
What is the SMILES notation for sodium ethyl sulfite?
The canonical SMILES for sodium ethyl sulfite is CCOS(=O)[O-].[Na+].
What is the InChIKey of sodium ethyl sulfite?
The InChIKey is OXRILMCCGJTGOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O3S.Na/c1-2-5-6(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium ethyl sulfite?
sodium ethyl sulfite has a molecular weight of 132.12 g/mol, XLogP of -3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl sulfite is sourced from PubChem (CID 23687551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).