ethoxysulfinyl sulfite

C2H5O5S2- — CID 148546254

IUPACethoxysulfinyl sulfite
SMILESCCOS(=O)OS(=O)[O-]
InChIInChI=1S/C2H6O5S2/c1-2-6-9(5)7-8(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyVOWFXOXPXLVXME-UHFFFAOYSA-M
MW173.19 g/mol
LogP-0.59
Rot. Bonds4

About ethoxysulfinyl sulfite

ethoxysulfinyl sulfite (PubChem CID 148546254) has the molecular formula C2H5O5S2- and a molecular weight of 173.19 g/mol. Its IUPAC name is ethoxysulfinyl sulfite.

Molecular Properties

Compound Nameethoxysulfinyl sulfite
PubChem CID148546254
Molecular FormulaC2H5O5S2-
Molecular Weight173.19 g/mol
Exact Mass172.96
IUPAC Nameethoxysulfinyl sulfite
SMILESCCOS(=O)OS(=O)[O-]
InChIInChI=1S/C2H6O5S2/c1-2-6-9(5)7-8(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyVOWFXOXPXLVXME-UHFFFAOYSA-M
XLogP-0.59
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethoxysulfinyl sulfite?
The IUPAC name of ethoxysulfinyl sulfite (CID 148546254) is ethoxysulfinyl sulfite.
What is the SMILES notation for ethoxysulfinyl sulfite?
The canonical SMILES for ethoxysulfinyl sulfite is CCOS(=O)OS(=O)[O-].
What is the InChIKey of ethoxysulfinyl sulfite?
The InChIKey is VOWFXOXPXLVXME-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O5S2/c1-2-6-9(5)7-8(3)4/h2H2,1H3,(H,3,4)/p-1.
What are the key properties of ethoxysulfinyl sulfite?
ethoxysulfinyl sulfite has a molecular weight of 173.19 g/mol, XLogP of -0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysulfinyl sulfite is sourced from PubChem (CID 148546254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).