Record Information
Version1.0
Creation Date2016-05-22 06:59:19 UTC
Update Date2016-11-09 01:16:10 UTC
Accession NumberCHEM020293
Identification
Common NameLithium sulfate
ClassSmall Molecule
DescriptionA metal sulfate in which the counterion is lithium and the ratio of lithium to sulfate is 2:1.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Dilthium sulfateChEBI
Li2SO4ChEBI
LithiophorChEBI
Lithium sulphateChEBI
LithionitKegg
Dilthium sulfuric acidGenerator
Dilthium sulphateGenerator
Dilthium sulphuric acidGenerator
Lithium sulfuric acidGenerator
Lithium sulphuric acidGenerator
Dilithium;sulfuric acidGenerator
Dilithium;sulphateGenerator
Dilithium;sulphuric acidGenerator
Lithium sulfateGenerator
Chemical FormulaLi2O4S
Average Molecular Mass109.940 g/mol
Monoisotopic Mass109.984 g/mol
CAS Registry Number10377-48-7
IUPAC Namedilithium(1+) ion sulfate
Traditional Namedilithium(1+) ion sulfate
SMILES[Li+].[Li+].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
InChI KeyINHCSSUBVCNVSK-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal sulfates
Direct ParentAlkali metal sulfates
Alternative Parents
Substituents
  • Alkali metal sulfate
  • Inorganic lithium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-a0365a071a20633bc70bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1900000000-d941fedc2f3b5839b27cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08g0-9600000000-4edfbab324a24c6dc42bSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkLithium sulfate
Chemspider IDNot Available
ChEBI ID53474
PubChem Compound ID66320
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=2469014
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=8991630