lithium;hydride;naphthalene-1-sulfonic acid;hydrate

C10H11LiO4S — CID 173436914

IUPAClithium;hydride;naphthalene-1-sulfonic acid;hydrate
SMILESO.O=S(=O)(O)c1cccc2ccccc12.[H-].[Li+]
InChIInChI=1S/C10H8O3S.Li.H2O.H/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,(H,11,12,13);;1H2;/q;+1;;-1
InChIKeyFIWSUODRTJFJON-UHFFFAOYSA-N
MW234.20 g/mol
LogP-1.62
Rot. Bonds1

About lithium;hydride;naphthalene-1-sulfonic acid;hydrate

lithium;hydride;naphthalene-1-sulfonic acid;hydrate (PubChem CID 173436914) has the molecular formula C10H11LiO4S and a molecular weight of 234.20 g/mol. Its IUPAC name is lithium;hydride;naphthalene-1-sulfonic acid;hydrate.

Molecular Properties

Compound Namelithium;hydride;naphthalene-1-sulfonic acid;hydrate
PubChem CID173436914
Molecular FormulaC10H11LiO4S
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Namelithium;hydride;naphthalene-1-sulfonic acid;hydrate
SMILESO.O=S(=O)(O)c1cccc2ccccc12.[H-].[Li+]
InChIInChI=1S/C10H8O3S.Li.H2O.H/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,(H,11,12,13);;1H2;/q;+1;;-1
InChIKeyFIWSUODRTJFJON-UHFFFAOYSA-N
XLogP-1.62
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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naphthalene-1-sulfonic acid
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CID 174856610
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
CID 87599032
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CID 174421353
naphthalene-1-sulfonic acid;propan-2-one
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CID 157288901
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
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naphthalene-1-sulfonic acid;2H-triazole
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magnesium;hydride;phenanthrene-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;naphthalene-1-sulfonic acid;hydrate?
The IUPAC name of lithium;hydride;naphthalene-1-sulfonic acid;hydrate (CID 173436914) is lithium;hydride;naphthalene-1-sulfonic acid;hydrate.
What is the SMILES notation for lithium;hydride;naphthalene-1-sulfonic acid;hydrate?
The canonical SMILES for lithium;hydride;naphthalene-1-sulfonic acid;hydrate is O.O=S(=O)(O)c1cccc2ccccc12.[H-].[Li+].
What is the InChIKey of lithium;hydride;naphthalene-1-sulfonic acid;hydrate?
The InChIKey is FIWSUODRTJFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.Li.H2O.H/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,(H,11,12,13);;1H2;/q;+1;;-1.
What are the key properties of lithium;hydride;naphthalene-1-sulfonic acid;hydrate?
lithium;hydride;naphthalene-1-sulfonic acid;hydrate has a molecular weight of 234.20 g/mol, XLogP of -1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;naphthalene-1-sulfonic acid;hydrate is sourced from PubChem (CID 173436914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).