lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride

C14H9LiO5S — CID 174968408

IUPAClithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C14H8O5S.Li.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;/q;+1;-1
InChIKeyUJICZKJUSAEDLF-UHFFFAOYSA-N
MW296.23 g/mol
LogP-1.17
Rot. Bonds1

About lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride

lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride (PubChem CID 174968408) has the molecular formula C14H9LiO5S and a molecular weight of 296.23 g/mol. Its IUPAC name is lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namelithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
PubChem CID174968408
Molecular FormulaC14H9LiO5S
Molecular Weight296.23 g/mol
Exact Mass296.03
IUPAC Namelithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C14H8O5S.Li.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;/q;+1;-1
InChIKeyUJICZKJUSAEDLF-UHFFFAOYSA-N
XLogP-1.17
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 5-1.17
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

CID 87729944
CID 87729944
disodium;9,10-dioxoanthracene-1,6-disulfonic acid;hydride
CID 173351365
5-methyl-9,10-dioxoanthracene-1-sulfonic acid
CID 89441677
biphenylene-1,5-disulfonic acid
CID 165163925
6-nitro-9,10-dioxoanthracene-1-sulfonic acid
CID 21410236
potassium;sodium;bis(9,10-dioxoanthracene-1-sulfonate)
CID 141231244
9,10-dioxo-2-sulfoanthracene-1-carboxylic acid
CID 154171939
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
1-(methylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 12622701
lithium;anthracene-9,10-dione;hydride
CID 174683199
1-anilino-9,10-dioxoanthracene-2-sulfonic acid
CID 20523512
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725

Frequently Asked Questions

What is the IUPAC name of lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride?
The IUPAC name of lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride (CID 174968408) is lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride.
What is the SMILES notation for lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride?
The canonical SMILES for lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride is O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride?
The InChIKey is UJICZKJUSAEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5S.Li.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;/q;+1;-1.
What are the key properties of lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride?
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride has a molecular weight of 296.23 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride is sourced from PubChem (CID 174968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).