potassium 2-sulfoacetate

C2H3KO5S — CID 23671920

IUPACpotassium 2-sulfoacetate
SMILESO=C([O-])CS(=O)(=O)O.[K+]
InChIInChI=1S/C2H4O5S.K/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);/q;+1/p-1
InChIKeyJRMDVKNHNBKTPB-UHFFFAOYSA-M
MW178.21 g/mol
LogP-5.37
Rot. Bonds2

About potassium 2-sulfoacetate

potassium 2-sulfoacetate (PubChem CID 23671920) has the molecular formula C2H3KO5S and a molecular weight of 178.21 g/mol. Its IUPAC name is potassium 2-sulfoacetate.

Molecular Properties

Compound Namepotassium 2-sulfoacetate
PubChem CID23671920
Molecular FormulaC2H3KO5S
Molecular Weight178.21 g/mol
Exact Mass177.93
IUPAC Namepotassium 2-sulfoacetate
SMILESO=C([O-])CS(=O)(=O)O.[K+]
InChIInChI=1S/C2H4O5S.K/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);/q;+1/p-1
InChIKeyJRMDVKNHNBKTPB-UHFFFAOYSA-M
XLogP-5.37
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-5.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

phosphanium 2-sulfoacetate
CID 159107463
lithium 2-oxo-3-sulfopropanoate
CID 175429623
trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
CID 102181566
CID 87367407
CID 87367407
2,3-dioxobutane-1-sulfonic acid
CID 175261536
azane;2-sulfoacetic acid
CID 131882326
sodium;prop-2-enoxybenzene;2-sulfoacetate
CID 134278126
disodium;hydride;2-sulfoacetic acid
CID 173199775
ethane;2-sulfoacetic acid
CID 87201731
calcium;sulfuric acid;diacetate
CID 173099353
calcium bis(4-sulfobutanoate)
CID 87400000
dipotassium bis(2-hydroxyacetate)
CID 140653272

Frequently Asked Questions

What is the IUPAC name of potassium 2-sulfoacetate?
The IUPAC name of potassium 2-sulfoacetate (CID 23671920) is potassium 2-sulfoacetate.
What is the SMILES notation for potassium 2-sulfoacetate?
The canonical SMILES for potassium 2-sulfoacetate is O=C([O-])CS(=O)(=O)O.[K+].
What is the InChIKey of potassium 2-sulfoacetate?
The InChIKey is JRMDVKNHNBKTPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O5S.K/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium 2-sulfoacetate?
potassium 2-sulfoacetate has a molecular weight of 178.21 g/mol, XLogP of -5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-sulfoacetate is sourced from PubChem (CID 23671920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).