potassium naphthalen-2-yl sulfate

C10H7KO4S — CID 2724416

IUPACpotassium naphthalen-2-yl sulfate
SMILESO=S(=O)([O-])Oc1ccc2ccccc2c1.[K+]
InChIInChI=1S/C10H8O4S.K/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeySKROFUUKJBLLKJ-UHFFFAOYSA-M
MW262.33 g/mol
LogP-1.32
Rot. Bonds2

About potassium naphthalen-2-yl sulfate

potassium naphthalen-2-yl sulfate (PubChem CID 2724416) has the molecular formula C10H7KO4S and a molecular weight of 262.33 g/mol. Its IUPAC name is potassium naphthalen-2-yl sulfate.

Molecular Properties

Compound Namepotassium naphthalen-2-yl sulfate
PubChem CID2724416
Molecular FormulaC10H7KO4S
Molecular Weight262.33 g/mol
Exact Mass261.97
IUPAC Namepotassium naphthalen-2-yl sulfate
SMILESO=S(=O)([O-])Oc1ccc2ccccc2c1.[K+]
InChIInChI=1S/C10H8O4S.K/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeySKROFUUKJBLLKJ-UHFFFAOYSA-M
XLogP-1.32
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.32
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'}

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Frequently Asked Questions

What is the IUPAC name of potassium naphthalen-2-yl sulfate?
The IUPAC name of potassium naphthalen-2-yl sulfate (CID 2724416) is potassium naphthalen-2-yl sulfate.
What is the SMILES notation for potassium naphthalen-2-yl sulfate?
The canonical SMILES for potassium naphthalen-2-yl sulfate is O=S(=O)([O-])Oc1ccc2ccccc2c1.[K+].
What is the InChIKey of potassium naphthalen-2-yl sulfate?
The InChIKey is SKROFUUKJBLLKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S.K/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium naphthalen-2-yl sulfate?
potassium naphthalen-2-yl sulfate has a molecular weight of 262.33 g/mol, XLogP of -1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium naphthalen-2-yl sulfate is sourced from PubChem (CID 2724416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).