dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide

C10H7Li2O6S2- — CID 58462977

IUPACdilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide
SMILESO=S([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.[Li+].[Li+].[OH-]
InChIInChI=1S/C10H8O5S2.2Li.H2O/c11-16(12)9-3-1-8-6-10(17(13,14)15)4-2-7(8)5-9;;;/h1-6H,(H,11,12)(H,13,14,15);;;1H2/q;2*+1;/p-3
InChIKeyIJCWADBAXAXEMY-UHFFFAOYSA-K
MW301.18 g/mol
LogP-5.19
Rot. Bonds2

About dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide

dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide (PubChem CID 58462977) has the molecular formula C10H7Li2O6S2- and a molecular weight of 301.18 g/mol. Its IUPAC name is dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide.

Molecular Properties

Compound Namedilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide
PubChem CID58462977
Molecular FormulaC10H7Li2O6S2-
Molecular Weight301.18 g/mol
Exact Mass301.00
IUPAC Namedilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide
SMILESO=S([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.[Li+].[Li+].[OH-]
InChIInChI=1S/C10H8O5S2.2Li.H2O/c11-16(12)9-3-1-8-6-10(17(13,14)15)4-2-7(8)5-9;;;/h1-6H,(H,11,12)(H,13,14,15);;;1H2/q;2*+1;/p-3
InChIKeyIJCWADBAXAXEMY-UHFFFAOYSA-K
XLogP-5.19
TPSA127.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 5-5.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide
CID 58463001
6-sulfinonaphthalene-2-sulfinate
CID 59930954
hexakis(ethane-1,2-diamine);bis(naphthalene-2,6-disulfonate);bis(nickel(2+));dihydrate
CID 139066976
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
potassium 6,7-dimethylnaphthalene-2-sulfonate
CID 101323807
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
sodium 6-ethylnaphthalene-2-sulfonate
CID 101315129
4-(methylsulfamoyl)benzenesulfinate
CID 156531858
sodium 6,7-dipropylnaphthalene-2-sulfonate
CID 101324973

Frequently Asked Questions

What is the IUPAC name of dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide?
The IUPAC name of dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide (CID 58462977) is dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide.
What is the SMILES notation for dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide?
The canonical SMILES for dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide is O=S([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.[Li+].[Li+].[OH-].
What is the InChIKey of dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide?
The InChIKey is IJCWADBAXAXEMY-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H8O5S2.2Li.H2O/c11-16(12)9-3-1-8-6-10(17(13,14)15)4-2-7(8)5-9;;;/h1-6H,(H,11,12)(H,13,14,15);;;1H2/q;2*+1;/p-3.
What are the key properties of dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide?
dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide has a molecular weight of 301.18 g/mol, XLogP of -5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide is sourced from PubChem (CID 58462977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).