sodium;ethane-1,2-diol;hydrogen sulfite

C2H7NaO5S — CID 23678211

IUPACsodium;ethane-1,2-diol;hydrogen sulfite
SMILESO=S([O-])O.OCCO.[Na+]
InChIInChI=1S/C2H6O2.Na.H2O3S/c3-1-2-4;;1-4(2)3/h3-4H,1-2H2;;(H2,1,2,3)/q;+1;/p-1
InChIKeyVGNFMFCLPDHBHQ-UHFFFAOYSA-M
MW166.13 g/mol
LogP-4.69
Rot. Bonds1

About sodium;ethane-1,2-diol;hydrogen sulfite

sodium;ethane-1,2-diol;hydrogen sulfite (PubChem CID 23678211) has the molecular formula C2H7NaO5S and a molecular weight of 166.13 g/mol. Its IUPAC name is sodium;ethane-1,2-diol;hydrogen sulfite.

Molecular Properties

Compound Namesodium;ethane-1,2-diol;hydrogen sulfite
PubChem CID23678211
Molecular FormulaC2H7NaO5S
Molecular Weight166.13 g/mol
Exact Mass165.99
IUPAC Namesodium;ethane-1,2-diol;hydrogen sulfite
SMILESO=S([O-])O.OCCO.[Na+]
InChIInChI=1S/C2H6O2.Na.H2O3S/c3-1-2-4;;1-4(2)3/h3-4H,1-2H2;;(H2,1,2,3)/q;+1;/p-1
InChIKeyVGNFMFCLPDHBHQ-UHFFFAOYSA-M
XLogP-4.69
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-4.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;ethane-1,2-diol;hydrogen sulfite?
The IUPAC name of sodium;ethane-1,2-diol;hydrogen sulfite (CID 23678211) is sodium;ethane-1,2-diol;hydrogen sulfite.
What is the SMILES notation for sodium;ethane-1,2-diol;hydrogen sulfite?
The canonical SMILES for sodium;ethane-1,2-diol;hydrogen sulfite is O=S([O-])O.OCCO.[Na+].
What is the InChIKey of sodium;ethane-1,2-diol;hydrogen sulfite?
The InChIKey is VGNFMFCLPDHBHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O2.Na.H2O3S/c3-1-2-4;;1-4(2)3/h3-4H,1-2H2;;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of sodium;ethane-1,2-diol;hydrogen sulfite?
sodium;ethane-1,2-diol;hydrogen sulfite has a molecular weight of 166.13 g/mol, XLogP of -4.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane-1,2-diol;hydrogen sulfite is sourced from PubChem (CID 23678211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).