lithium;hydride;4-methylbenzenesulfonic acid;pyridine

C12H14LiNO3S — CID 174906944

IUPAClithium;hydride;4-methylbenzenesulfonic acid;pyridine
SMILESCc1ccc(S(=O)(=O)O)cc1.[H-].[Li+].c1ccncc1
InChIInChI=1S/C7H8O3S.C5H5N.Li.H/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;;/h2-5H,1H3,(H,8,9,10);1-5H;;/q;;+1;-1
InChIKeyCPIABYFVJOSBLX-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.56
Rot. Bonds1

About lithium;hydride;4-methylbenzenesulfonic acid;pyridine

lithium;hydride;4-methylbenzenesulfonic acid;pyridine (PubChem CID 174906944) has the molecular formula C12H14LiNO3S and a molecular weight of 259.26 g/mol. Its IUPAC name is lithium;hydride;4-methylbenzenesulfonic acid;pyridine.

Molecular Properties

Compound Namelithium;hydride;4-methylbenzenesulfonic acid;pyridine
PubChem CID174906944
Molecular FormulaC12H14LiNO3S
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Namelithium;hydride;4-methylbenzenesulfonic acid;pyridine
SMILESCc1ccc(S(=O)(=O)O)cc1.[H-].[Li+].c1ccncc1
InChIInChI=1S/C7H8O3S.C5H5N.Li.H/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;;/h2-5H,1H3,(H,8,9,10);1-5H;;/q;;+1;-1
InChIKeyCPIABYFVJOSBLX-UHFFFAOYSA-N
XLogP-0.56
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;4-methylbenzenesulfonic acid;pyridine?
The IUPAC name of lithium;hydride;4-methylbenzenesulfonic acid;pyridine (CID 174906944) is lithium;hydride;4-methylbenzenesulfonic acid;pyridine.
What is the SMILES notation for lithium;hydride;4-methylbenzenesulfonic acid;pyridine?
The canonical SMILES for lithium;hydride;4-methylbenzenesulfonic acid;pyridine is Cc1ccc(S(=O)(=O)O)cc1.[H-].[Li+].c1ccncc1.
What is the InChIKey of lithium;hydride;4-methylbenzenesulfonic acid;pyridine?
The InChIKey is CPIABYFVJOSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.C5H5N.Li.H/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;;/h2-5H,1H3,(H,8,9,10);1-5H;;/q;;+1;-1.
What are the key properties of lithium;hydride;4-methylbenzenesulfonic acid;pyridine?
lithium;hydride;4-methylbenzenesulfonic acid;pyridine has a molecular weight of 259.26 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;4-methylbenzenesulfonic acid;pyridine is sourced from PubChem (CID 174906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).