potassium acetyl sulfite

C2H3KO4S — CID 174450467

IUPACpotassium acetyl sulfite
SMILESCC(=O)OS(=O)[O-].[K+]
InChIInChI=1S/C2H4O4S.K/c1-2(3)6-7(4)5;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyRWFJOSBJICGZLA-UHFFFAOYSA-M
MW162.21 g/mol
LogP-3.65
Rot. Bonds1

About potassium acetyl sulfite

potassium acetyl sulfite (PubChem CID 174450467) has the molecular formula C2H3KO4S and a molecular weight of 162.21 g/mol. Its IUPAC name is potassium acetyl sulfite.

Molecular Properties

Compound Namepotassium acetyl sulfite
PubChem CID174450467
Molecular FormulaC2H3KO4S
Molecular Weight162.21 g/mol
Exact Mass161.94
IUPAC Namepotassium acetyl sulfite
SMILESCC(=O)OS(=O)[O-].[K+]
InChIInChI=1S/C2H4O4S.K/c1-2(3)6-7(4)5;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyRWFJOSBJICGZLA-UHFFFAOYSA-M
XLogP-3.65
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 57195718
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CID 91281137
1-oxo-1-(sulfinatoamino)oxyethane
CID 57283346
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sodium 1-oxoethanesulfinate
CID 23715671
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CID 143925160
hexanoyl sulfite
CID 174493276

Frequently Asked Questions

What is the IUPAC name of potassium acetyl sulfite?
The IUPAC name of potassium acetyl sulfite (CID 174450467) is potassium acetyl sulfite.
What is the SMILES notation for potassium acetyl sulfite?
The canonical SMILES for potassium acetyl sulfite is CC(=O)OS(=O)[O-].[K+].
What is the InChIKey of potassium acetyl sulfite?
The InChIKey is RWFJOSBJICGZLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O4S.K/c1-2(3)6-7(4)5;/h1H3,(H,4,5);/q;+1/p-1.
What are the key properties of potassium acetyl sulfite?
potassium acetyl sulfite has a molecular weight of 162.21 g/mol, XLogP of -3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium acetyl sulfite is sourced from PubChem (CID 174450467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).