dilithium;3-methylnaphthalene-1,5-disulfonate

C11H8Li2O6S2 — CID 140636726

IUPACdilithium;3-methylnaphthalene-1,5-disulfonate
SMILESCc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Li+].[Li+]
InChIInChI=1S/C11H10O6S2.2Li/c1-7-5-9-8(11(6-7)19(15,16)17)3-2-4-10(9)18(12,13)14;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyRIMOQWJDLXMOAT-UHFFFAOYSA-L
MW314.19 g/mol
LogP-5.04
Rot. Bonds2

About dilithium;3-methylnaphthalene-1,5-disulfonate

dilithium;3-methylnaphthalene-1,5-disulfonate (PubChem CID 140636726) has the molecular formula C11H8Li2O6S2 and a molecular weight of 314.19 g/mol. Its IUPAC name is dilithium;3-methylnaphthalene-1,5-disulfonate.

Molecular Properties

Compound Namedilithium;3-methylnaphthalene-1,5-disulfonate
PubChem CID140636726
Molecular FormulaC11H8Li2O6S2
Molecular Weight314.19 g/mol
Exact Mass314.01
IUPAC Namedilithium;3-methylnaphthalene-1,5-disulfonate
SMILESCc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Li+].[Li+]
InChIInChI=1S/C11H10O6S2.2Li/c1-7-5-9-8(11(6-7)19(15,16)17)3-2-4-10(9)18(12,13)14;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyRIMOQWJDLXMOAT-UHFFFAOYSA-L
XLogP-5.04
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 5-5.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methylnaphthalene-1,5-disulfonate
CID 58611257
3,5-dimethylnaphthalene-1-sulfonate;ethane
CID 54368356
3-methylnaphthalene-1-sulfonate
CID 59366561
tripotassium;naphthalene-1,3,5-trisulfonate
CID 22486367
calcium bis(5-methylnaphthalene-1-sulfonate)
CID 101317270
sodium 7-methylnaphthalene-1-sulfonate
CID 101315116
3-nitronaphthalene-1,5-disulfonate
CID 56772282
5-sulfonaphthalene-1-sulfonate
CID 3517121
dipotassium;2-methylnaphthalene-1,5-disulfonate
CID 20739196
bis((3-azaniumyl-4-methylphenyl)azanium);bis(naphthalene-1,5-disulfonate);hexahydrate
CID 139146077
5-azaniumylnaphthalene-1-sulfonate;hydrate
CID 139060322
3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627

Frequently Asked Questions

What is the IUPAC name of dilithium;3-methylnaphthalene-1,5-disulfonate?
The IUPAC name of dilithium;3-methylnaphthalene-1,5-disulfonate (CID 140636726) is dilithium;3-methylnaphthalene-1,5-disulfonate.
What is the SMILES notation for dilithium;3-methylnaphthalene-1,5-disulfonate?
The canonical SMILES for dilithium;3-methylnaphthalene-1,5-disulfonate is Cc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Li+].[Li+].
What is the InChIKey of dilithium;3-methylnaphthalene-1,5-disulfonate?
The InChIKey is RIMOQWJDLXMOAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10O6S2.2Li/c1-7-5-9-8(11(6-7)19(15,16)17)3-2-4-10(9)18(12,13)14;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of dilithium;3-methylnaphthalene-1,5-disulfonate?
dilithium;3-methylnaphthalene-1,5-disulfonate has a molecular weight of 314.19 g/mol, XLogP of -5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;3-methylnaphthalene-1,5-disulfonate is sourced from PubChem (CID 140636726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).