potassium 1,4-dioxonaphthalene-2-sulfonate

C10H5KO5S — CID 2735097

IUPACpotassium 1,4-dioxonaphthalene-2-sulfonate
SMILESO=C1C=C(S(=O)(=O)[O-])C(=O)c2ccccc21.[K+]
InChIInChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKeyWZEGLRXCWYMIDO-UHFFFAOYSA-M
MW276.31 g/mol
LogP-2.50
Rot. Bonds1

About potassium 1,4-dioxonaphthalene-2-sulfonate

potassium 1,4-dioxonaphthalene-2-sulfonate (PubChem CID 2735097) has the molecular formula C10H5KO5S and a molecular weight of 276.31 g/mol. Its IUPAC name is potassium 1,4-dioxonaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 1,4-dioxonaphthalene-2-sulfonate
PubChem CID2735097
Molecular FormulaC10H5KO5S
Molecular Weight276.31 g/mol
Exact Mass275.95
IUPAC Namepotassium 1,4-dioxonaphthalene-2-sulfonate
SMILESO=C1C=C(S(=O)(=O)[O-])C(=O)c2ccccc21.[K+]
InChIInChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKeyWZEGLRXCWYMIDO-UHFFFAOYSA-M
XLogP-2.50
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Naphthoquinone
CID 8530
Menadione
CID 4055
1,2-Naphthoquinone
CID 10667
Menadione Sodium Bisulfite
CID 23665888
2,3-Dimethyl-1,4-naphthoquinone
CID 16615
Sodium beta-naphthoquinone-4-sulfonate
CID 516996
1,2-Naphthoquinone-4-sulfonic acid
CID 10637
Deoxylapachol
CID 97448
5-Iodo-1,4-dihydronaphthalene-1,4-dione
CID 11243074
Potassium 1,2-naphthoquinone-4-sulphonate
CID 23663536
2,3-Bis(methylthio)-1,4-naphthalenedione
CID 351827
Menadione sodium bisulfite hydrate
CID 517318

Frequently Asked Questions

What is the IUPAC name of potassium 1,4-dioxonaphthalene-2-sulfonate?
The IUPAC name of potassium 1,4-dioxonaphthalene-2-sulfonate (CID 2735097) is potassium 1,4-dioxonaphthalene-2-sulfonate.
What is the SMILES notation for potassium 1,4-dioxonaphthalene-2-sulfonate?
The canonical SMILES for potassium 1,4-dioxonaphthalene-2-sulfonate is O=C1C=C(S(=O)(=O)[O-])C(=O)c2ccccc21.[K+].
What is the InChIKey of potassium 1,4-dioxonaphthalene-2-sulfonate?
The InChIKey is WZEGLRXCWYMIDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 1,4-dioxonaphthalene-2-sulfonate?
potassium 1,4-dioxonaphthalene-2-sulfonate has a molecular weight of 276.31 g/mol, XLogP of -2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,4-dioxonaphthalene-2-sulfonate is sourced from PubChem (CID 2735097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).