potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride

C14H8KO5S- — CID 174411913

IUPACpotassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
SMILESO=C1c2ccccc2C(=O)c2c(OS(=O)[O-])cccc21.[H-].[K+]
InChIInChI=1S/C14H8O5S.K.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)19-20(17)18;;/h1-7H,(H,17,18);;/q;+1;-1/p-1
InChIKeyXEXATHPXQOZCGP-UHFFFAOYSA-M
MW327.38 g/mol
LogP-1.25
Rot. Bonds2

About potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride

potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride (PubChem CID 174411913) has the molecular formula C14H8KO5S- and a molecular weight of 327.38 g/mol. Its IUPAC name is potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride.

Molecular Properties

Compound Namepotassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
PubChem CID174411913
Molecular FormulaC14H8KO5S-
Molecular Weight327.38 g/mol
Exact Mass326.97
IUPAC Namepotassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
SMILESO=C1c2ccccc2C(=O)c2c(OS(=O)[O-])cccc21.[H-].[K+]
InChIInChI=1S/C14H8O5S.K.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)19-20(17)18;;/h1-7H,(H,17,18);;/q;+1;-1/p-1
InChIKeyXEXATHPXQOZCGP-UHFFFAOYSA-M
XLogP-1.25
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-9,10-dioxoanthracen-1-yl) sulfite
CID 57176324
(9,10-dioxoanthracen-1-yl) benzenesulfonate
CID 14493643
1-trimethylsilyloxyanthracene-9,10-dione
CID 14923189
CID 173426019
CID 173426019
potassium;sodium;bis(9,10-dioxoanthracene-1-sulfonate)
CID 141231244
potassium azulen-1-yl sulfite
CID 174713205
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
lithium;anthracene-9,10-dione;hydride
CID 174683199
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602
(8-phenylnaphthalen-1-yl) sulfite
CID 175356510
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408

Frequently Asked Questions

What is the IUPAC name of potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride?
The IUPAC name of potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride (CID 174411913) is potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride.
What is the SMILES notation for potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride?
The canonical SMILES for potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride is O=C1c2ccccc2C(=O)c2c(OS(=O)[O-])cccc21.[H-].[K+].
What is the InChIKey of potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride?
The InChIKey is XEXATHPXQOZCGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8O5S.K.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)19-20(17)18;;/h1-7H,(H,17,18);;/q;+1;-1/p-1.
What are the key properties of potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride?
potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride has a molecular weight of 327.38 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride is sourced from PubChem (CID 174411913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).