lithium;sodium;bis(4-hydroxybenzenesulfonate)

C12H10LiNaO8S2 — CID 173430636

IUPAClithium;sodium;bis(4-hydroxybenzenesulfonate)
SMILESO=S(=O)([O-])c1ccc(O)cc1.O=S(=O)([O-])c1ccc(O)cc1.[Li+].[Na+]
InChIInChI=1S/2C6H6O4S.Li.Na/c2*7-5-1-3-6(4-2-5)11(8,9)10;;/h2*1-4,7H,(H,8,9,10);;/q;;2*+1/p-2
InChIKeyKBKUQYFLJBEITE-UHFFFAOYSA-L
MW376.27 g/mol
LogP-5.40
Rot. Bonds2

About lithium;sodium;bis(4-hydroxybenzenesulfonate)

lithium;sodium;bis(4-hydroxybenzenesulfonate) (PubChem CID 173430636) has the molecular formula C12H10LiNaO8S2 and a molecular weight of 376.27 g/mol. Its IUPAC name is lithium;sodium;bis(4-hydroxybenzenesulfonate).

Molecular Properties

Compound Namelithium;sodium;bis(4-hydroxybenzenesulfonate)
PubChem CID173430636
Molecular FormulaC12H10LiNaO8S2
Molecular Weight376.27 g/mol
Exact Mass375.99
IUPAC Namelithium;sodium;bis(4-hydroxybenzenesulfonate)
SMILESO=S(=O)([O-])c1ccc(O)cc1.O=S(=O)([O-])c1ccc(O)cc1.[Li+].[Na+]
InChIInChI=1S/2C6H6O4S.Li.Na/c2*7-5-1-3-6(4-2-5)11(8,9)10;;/h2*1-4,7H,(H,8,9,10);;/q;;2*+1/p-2
InChIKeyKBKUQYFLJBEITE-UHFFFAOYSA-L
XLogP-5.40
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 5-5.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;bis(4-hydroxybenzenesulfonate);dihydrate
CID 160943601
zinc;bis(4-hydroxybenzenesulfonate);hydrate
CID 140994815
4-hydroxybenzenesulfonate;pyridin-1-ium
CID 121451813
4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
CID 101301315
disodium;4-(4-sulfonatophenyl)sulfonylbenzenesulfonate
CID 167311689
disodium;4-[4-(4-sulfonatophenyl)phenyl]benzenesulfonate
CID 139048064
CID 70636806
CID 70636806
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
CID 131880553
CID 131880553
4-[2-(4-sulfonatophenyl)ethynyl]benzenesulfonate
CID 101250013
sodium;benzenesulfonate;hydrate
CID 23670746
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bis(4-hydroxybenzenesulfonate)?
The IUPAC name of lithium;sodium;bis(4-hydroxybenzenesulfonate) (CID 173430636) is lithium;sodium;bis(4-hydroxybenzenesulfonate).
What is the SMILES notation for lithium;sodium;bis(4-hydroxybenzenesulfonate)?
The canonical SMILES for lithium;sodium;bis(4-hydroxybenzenesulfonate) is O=S(=O)([O-])c1ccc(O)cc1.O=S(=O)([O-])c1ccc(O)cc1.[Li+].[Na+].
What is the InChIKey of lithium;sodium;bis(4-hydroxybenzenesulfonate)?
The InChIKey is KBKUQYFLJBEITE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O4S.Li.Na/c2*7-5-1-3-6(4-2-5)11(8,9)10;;/h2*1-4,7H,(H,8,9,10);;/q;;2*+1/p-2.
What are the key properties of lithium;sodium;bis(4-hydroxybenzenesulfonate)?
lithium;sodium;bis(4-hydroxybenzenesulfonate) has a molecular weight of 376.27 g/mol, XLogP of -5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;bis(4-hydroxybenzenesulfonate) is sourced from PubChem (CID 173430636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).