lithium;2-ethenylbenzenesulfonic acid;hydride

C8H9LiO3S — CID 173052957

IUPAClithium;2-ethenylbenzenesulfonic acid;hydride
SMILESC=Cc1ccccc1S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C8H8O3S.Li.H/c1-2-7-5-3-4-6-8(7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;/q;+1;-1
InChIKeyQPUXTJIOVPSGFG-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.31
Rot. Bonds2

About lithium;2-ethenylbenzenesulfonic acid;hydride

lithium;2-ethenylbenzenesulfonic acid;hydride (PubChem CID 173052957) has the molecular formula C8H9LiO3S and a molecular weight of 192.17 g/mol. Its IUPAC name is lithium;2-ethenylbenzenesulfonic acid;hydride.

Molecular Properties

Compound Namelithium;2-ethenylbenzenesulfonic acid;hydride
PubChem CID173052957
Molecular FormulaC8H9LiO3S
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Namelithium;2-ethenylbenzenesulfonic acid;hydride
SMILESC=Cc1ccccc1S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C8H8O3S.Li.H/c1-2-7-5-3-4-6-8(7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;/q;+1;-1
InChIKeyQPUXTJIOVPSGFG-UHFFFAOYSA-N
XLogP-1.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;2-ethenylbenzenesulfonic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethenylbenzenesulfonic acid
CID 161490655
2-ethenylbenzenesulfonic acid;3-ethylpentan-3-amine
CID 173333892
3-ethenyl-2-[(2-ethenyl-6-sulfophenyl)methyl]benzenesulfonic acid
CID 87493292
2-tert-butyl-3-ethenylbenzenesulfonic acid
CID 19021303
2-ethenylbenzenesulfonic acid;2-(methoxymethyl)prop-2-enamide
CID 88817180
cesium 2-ethenylbenzenesulfonate
CID 87464479
2-[(E)-2-fluoroethenyl]benzenesulfonic acid
CID 87155479
2-hydroxybenzenesulfonic acid;styrene
CID 175395013
4-bromo-2-ethenylbenzenesulfonic acid
CID 21496871
3-amino-2-[(2-ethenylphenyl)methyl]benzenesulfonic acid
CID 88750315
disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid
CID 173092772
azane;2-ethenyl-4-methylbenzenesulfonic acid
CID 173319527

Frequently Asked Questions

What is the IUPAC name of lithium;2-ethenylbenzenesulfonic acid;hydride?
The IUPAC name of lithium;2-ethenylbenzenesulfonic acid;hydride (CID 173052957) is lithium;2-ethenylbenzenesulfonic acid;hydride.
What is the SMILES notation for lithium;2-ethenylbenzenesulfonic acid;hydride?
The canonical SMILES for lithium;2-ethenylbenzenesulfonic acid;hydride is C=Cc1ccccc1S(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-ethenylbenzenesulfonic acid;hydride?
The InChIKey is QPUXTJIOVPSGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.Li.H/c1-2-7-5-3-4-6-8(7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;/q;+1;-1.
What are the key properties of lithium;2-ethenylbenzenesulfonic acid;hydride?
lithium;2-ethenylbenzenesulfonic acid;hydride has a molecular weight of 192.17 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-ethenylbenzenesulfonic acid;hydride is sourced from PubChem (CID 173052957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).