lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride

C10H15LiO4S — CID 173469296

IUPAClithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
SMILESCC(C)(C)c1ccc(OS(=O)(=O)O)cc1.[H-].[Li+]
InChIInChI=1S/C10H14O4S.Li.H/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13;;/h4-7H,1-3H3,(H,11,12,13);;/q;+1;-1
InChIKeyZCBBKIGKDRPKQY-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.72
Rot. Bonds2

About lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride

lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride (PubChem CID 173469296) has the molecular formula C10H15LiO4S and a molecular weight of 238.23 g/mol. Its IUPAC name is lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride.

Molecular Properties

Compound Namelithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
PubChem CID173469296
Molecular FormulaC10H15LiO4S
Molecular Weight238.23 g/mol
Exact Mass238.09
IUPAC Namelithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
SMILESCC(C)(C)c1ccc(OS(=O)(=O)O)cc1.[H-].[Li+]
InChIInChI=1S/C10H14O4S.Li.H/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13;;/h4-7H,1-3H3,(H,11,12,13);;/q;+1;-1
InChIKeyZCBBKIGKDRPKQY-UHFFFAOYSA-N
XLogP-0.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;(4-tert-butylphenyl) hydrogen sulfate;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

(4-acetylphenyl) 4-tert-butylbenzenesulfonate
CID 26946027
[4-(2-hydroxypropan-2-yl)phenyl] methanesulfonate
CID 117332636
(4-ethylphenyl) hydrogen sulfate;hydrate
CID 141479577
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
(4-tert-butylphenyl) prop-2-ene-1-sulfonate
CID 87754864
[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
CID 156503905
[4-(2-bromoacetyl)phenyl] 4-tert-butylbenzenesulfonate
CID 87653010
(4-tert-butylphenyl) 3-carbamoyl-4-methylbenzenesulfonate
CID 46406425
(4-tert-butylphenyl) 2-[(2-methylpropan-2-yl)oxy]ethanesulfonate
CID 168776434
2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene
CID 91602635
(4-tert-butylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35292720
methyl 3-(4-tert-butylphenoxy)sulfonylbenzoate
CID 31700792

Frequently Asked Questions

What is the IUPAC name of lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride?
The IUPAC name of lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride (CID 173469296) is lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride.
What is the SMILES notation for lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride?
The canonical SMILES for lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride is CC(C)(C)c1ccc(OS(=O)(=O)O)cc1.[H-].[Li+].
What is the InChIKey of lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride?
The InChIKey is ZCBBKIGKDRPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S.Li.H/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13;;/h4-7H,1-3H3,(H,11,12,13);;/q;+1;-1.
What are the key properties of lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride?
lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride has a molecular weight of 238.23 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride is sourced from PubChem (CID 173469296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).