potassium phenyl sulfate

C6H5KO4S — CID 23678854

IUPACpotassium phenyl sulfate
SMILESO=S(=O)([O-])Oc1ccccc1.[K+]
InChIInChI=1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyNOUFXYHWAWIDNT-UHFFFAOYSA-M
MW212.27 g/mol
LogP-2.47
Rot. Bonds2

About potassium phenyl sulfate

potassium phenyl sulfate (PubChem CID 23678854) has the molecular formula C6H5KO4S and a molecular weight of 212.27 g/mol. Its IUPAC name is potassium phenyl sulfate.

Molecular Properties

Compound Namepotassium phenyl sulfate
PubChem CID23678854
Molecular FormulaC6H5KO4S
Molecular Weight212.27 g/mol
Exact Mass211.95
IUPAC Namepotassium phenyl sulfate
SMILESO=S(=O)([O-])Oc1ccccc1.[K+]
InChIInChI=1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyNOUFXYHWAWIDNT-UHFFFAOYSA-M
XLogP-2.47
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium phenyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium phenyl sulfate?
The IUPAC name of potassium phenyl sulfate (CID 23678854) is potassium phenyl sulfate.
What is the SMILES notation for potassium phenyl sulfate?
The canonical SMILES for potassium phenyl sulfate is O=S(=O)([O-])Oc1ccccc1.[K+].
What is the InChIKey of potassium phenyl sulfate?
The InChIKey is NOUFXYHWAWIDNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1.
What are the key properties of potassium phenyl sulfate?
potassium phenyl sulfate has a molecular weight of 212.27 g/mol, XLogP of -2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium phenyl sulfate is sourced from PubChem (CID 23678854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).