dipotassium;2-methylnaphthalene-1,5-disulfonate

C11H8K2O6S2 — CID 20739196

IUPACdipotassium;2-methylnaphthalene-1,5-disulfonate
SMILESCc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C11H10O6S2.2K/c1-7-5-6-8-9(11(7)19(15,16)17)3-2-4-10(8)18(12,13)14;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyNNASPUXZVBNFLY-UHFFFAOYSA-L
MW378.51 g/mol
LogP-5.04
Rot. Bonds2

About dipotassium;2-methylnaphthalene-1,5-disulfonate

dipotassium;2-methylnaphthalene-1,5-disulfonate (PubChem CID 20739196) has the molecular formula C11H8K2O6S2 and a molecular weight of 378.51 g/mol. Its IUPAC name is dipotassium;2-methylnaphthalene-1,5-disulfonate.

Molecular Properties

Compound Namedipotassium;2-methylnaphthalene-1,5-disulfonate
PubChem CID20739196
Molecular FormulaC11H8K2O6S2
Molecular Weight378.51 g/mol
Exact Mass377.90
IUPAC Namedipotassium;2-methylnaphthalene-1,5-disulfonate
SMILESCc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C11H10O6S2.2K/c1-7-5-6-8-9(11(7)19(15,16)17)3-2-4-10(8)18(12,13)14;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyNNASPUXZVBNFLY-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 ≤ 500378.51
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

calcium bis(5-methylnaphthalene-1-sulfonate)
CID 101317270
potassium 2,6-dimethylbenzenesulfonate
CID 23703042
tripotassium;benzene-1,2,3-trisulfonate
CID 139908271
4,5-dimethylnaphthalene-1-sulfonate
CID 54458023
2,6-dimethylbenzenesulfonate
CID 3015432
sodium 5,8-dimethylnaphthalene-1-sulfonate
CID 101324170
dilithium;3-methylnaphthalene-1,5-disulfonate
CID 140636726
3-methylnaphthalene-1,5-disulfonate
CID 58611257
bis((3-azaniumyl-4-methylphenyl)azanium);bis(naphthalene-1,5-disulfonate);hexahydrate
CID 139146077
potassium 5,6-diethylnaphthalene-1-sulfonate
CID 101322426
5-sulfonaphthalene-1-sulfonate
CID 3517121
tripotassium;naphthalene-1,3,5-trisulfonate
CID 22486367

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-methylnaphthalene-1,5-disulfonate?
The IUPAC name of dipotassium;2-methylnaphthalene-1,5-disulfonate (CID 20739196) is dipotassium;2-methylnaphthalene-1,5-disulfonate.
What is the SMILES notation for dipotassium;2-methylnaphthalene-1,5-disulfonate?
The canonical SMILES for dipotassium;2-methylnaphthalene-1,5-disulfonate is Cc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-methylnaphthalene-1,5-disulfonate?
The InChIKey is NNASPUXZVBNFLY-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10O6S2.2K/c1-7-5-6-8-9(11(7)19(15,16)17)3-2-4-10(8)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 dipotassium;2-methylnaphthalene-1,5-disulfonate?
dipotassium;2-methylnaphthalene-1,5-disulfonate has a molecular weight of 378.51 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 dipotassium;2-methylnaphthalene-1,5-disulfonate is sourced from PubChem (CID 20739196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).