lithium 8H-naphthalen-8-ide-2-sulfonic acid

C10H7LiO3S — CID 174758824

IUPAClithium 8H-naphthalen-8-ide-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc[c-]c2c1.[Li+]
InChIInChI=1S/C10H7O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-3,5-7H,(H,11,12,13);/q-1;+1
InChIKeyOQFRRHXJGNQUOI-UHFFFAOYSA-N
MW214.17 g/mol
LogP-1.11
Rot. Bonds1

About lithium 8H-naphthalen-8-ide-2-sulfonic acid

lithium 8H-naphthalen-8-ide-2-sulfonic acid (PubChem CID 174758824) has the molecular formula C10H7LiO3S and a molecular weight of 214.17 g/mol. Its IUPAC name is lithium 8H-naphthalen-8-ide-2-sulfonic acid.

Molecular Properties

Compound Namelithium 8H-naphthalen-8-ide-2-sulfonic acid
PubChem CID174758824
Molecular FormulaC10H7LiO3S
Molecular Weight214.17 g/mol
Exact Mass214.03
IUPAC Namelithium 8H-naphthalen-8-ide-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc[c-]c2c1.[Li+]
InChIInChI=1S/C10H7O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-3,5-7H,(H,11,12,13);/q-1;+1
InChIKeyOQFRRHXJGNQUOI-UHFFFAOYSA-N
XLogP-1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
tetracene-2-sulfonic acid
CID 21483873
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
naphthalene-2,3,6-trisulfonic acid
CID 42609669
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147

Frequently Asked Questions

What is the IUPAC name of lithium 8H-naphthalen-8-ide-2-sulfonic acid?
The IUPAC name of lithium 8H-naphthalen-8-ide-2-sulfonic acid (CID 174758824) is lithium 8H-naphthalen-8-ide-2-sulfonic acid.
What is the SMILES notation for lithium 8H-naphthalen-8-ide-2-sulfonic acid?
The canonical SMILES for lithium 8H-naphthalen-8-ide-2-sulfonic acid is O=S(=O)(O)c1ccc2ccc[c-]c2c1.[Li+].
What is the InChIKey of lithium 8H-naphthalen-8-ide-2-sulfonic acid?
The InChIKey is OQFRRHXJGNQUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-3,5-7H,(H,11,12,13);/q-1;+1.
What are the key properties of lithium 8H-naphthalen-8-ide-2-sulfonic acid?
lithium 8H-naphthalen-8-ide-2-sulfonic acid has a molecular weight of 214.17 g/mol, XLogP of -1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 8H-naphthalen-8-ide-2-sulfonic acid is sourced from PubChem (CID 174758824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).