potassium 2-hydroxybutane-1-sulfonate

C4H9KO4S — CID 59092896

IUPACpotassium 2-hydroxybutane-1-sulfonate
SMILESCCC(O)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H10O4S.K/c1-2-4(5)3-9(6,7)8;/h4-5H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyUASVPTGWGOMQMH-UHFFFAOYSA-M
MW192.28 g/mol
LogP-3.69
Rot. Bonds3

About potassium 2-hydroxybutane-1-sulfonate

potassium 2-hydroxybutane-1-sulfonate (PubChem CID 59092896) has the molecular formula C4H9KO4S and a molecular weight of 192.28 g/mol. Its IUPAC name is potassium 2-hydroxybutane-1-sulfonate.

Molecular Properties

Compound Namepotassium 2-hydroxybutane-1-sulfonate
PubChem CID59092896
Molecular FormulaC4H9KO4S
Molecular Weight192.28 g/mol
Exact Mass191.99
IUPAC Namepotassium 2-hydroxybutane-1-sulfonate
SMILESCCC(O)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H10O4S.K/c1-2-4(5)3-9(6,7)8;/h4-5H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyUASVPTGWGOMQMH-UHFFFAOYSA-M
XLogP-3.69
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-3.69
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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Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxybutane-1-sulfonate?
The IUPAC name of potassium 2-hydroxybutane-1-sulfonate (CID 59092896) is potassium 2-hydroxybutane-1-sulfonate.
What is the SMILES notation for potassium 2-hydroxybutane-1-sulfonate?
The canonical SMILES for potassium 2-hydroxybutane-1-sulfonate is CCC(O)CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-hydroxybutane-1-sulfonate?
The InChIKey is UASVPTGWGOMQMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O4S.K/c1-2-4(5)3-9(6,7)8;/h4-5H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium 2-hydroxybutane-1-sulfonate?
potassium 2-hydroxybutane-1-sulfonate has a molecular weight of 192.28 g/mol, XLogP of -3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxybutane-1-sulfonate is sourced from PubChem (CID 59092896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).