1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K

C10H6KO5S — CID 87254371

IUPAC—
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);
InChIKeySMJKYADHZUKPLT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.46
Rot. Bonds1

About 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K

1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K (PubChem CID 87254371) has the molecular formula C10H6KO5S and a molecular weight of 277.32 g/mol.

Molecular Properties

Compound Name1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K
PubChem CID87254371
Molecular FormulaC10H6KO5S
Molecular Weight277.32 g/mol
Exact Mass276.96
IUPAC Name—
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);
InChIKeySMJKYADHZUKPLT-UHFFFAOYSA-N
XLogP0.46
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

azane;1,4-dioxonaphthalene-2-sulfonic acid
CID 131881245
sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride
CID 173009524
1,4-dioxonaphthalene-2,6-disulfonic acid
CID 138620633
2-(2-methylpropylsulfonyl)naphthalene-1,4-dione
CID 139943389
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
2-methylnaphthalene-1,4-dione
CID 102070817
2-chloronaphthalene-1,4-dione
CID 12503870
3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
CID 139842307
2-chloronaphthalene-1,4-dione;sulfane
CID 174978325
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408
ethanol;2-methylnaphthalene-1,4-dione
CID 175255751
5-(1,4-dioxonaphthalen-2-yl)pentane-1-sulfonyl chloride
CID 134558903

Frequently Asked Questions

What is the IUPAC name of 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K?
The IUPAC name of 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K (CID 87254371) is not available.
What is the SMILES notation for 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K?
The canonical SMILES for 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K is O=C1C=C(S(=O)(=O)O)C(=O)c2ccccc21.[K].
What is the InChIKey of 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K?
The InChIKey is SMJKYADHZUKPLT-UHFFFAOYSA-N. 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);.
What are the key properties of 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K?
1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K has a molecular weight of 277.32 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K is sourced from PubChem (CID 87254371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).