potassium 6,7-dimethylnaphthalene-2-sulfonate

C12H11KO3S — CID 101323807

IUPACpotassium 6,7-dimethylnaphthalene-2-sulfonate
SMILESCc1cc2ccc(S(=O)(=O)[O-])cc2cc1C.[K+]
InChIInChI=1S/C12H12O3S.K/c1-8-5-10-3-4-12(16(13,14)15)7-11(10)6-9(8)2;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1
InChIKeyPDWFMWICOALJMH-UHFFFAOYSA-M
MW274.38 g/mol
LogP-0.64
Rot. Bonds1

About potassium 6,7-dimethylnaphthalene-2-sulfonate

potassium 6,7-dimethylnaphthalene-2-sulfonate (PubChem CID 101323807) has the molecular formula C12H11KO3S and a molecular weight of 274.38 g/mol. Its IUPAC name is potassium 6,7-dimethylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 6,7-dimethylnaphthalene-2-sulfonate
PubChem CID101323807
Molecular FormulaC12H11KO3S
Molecular Weight274.38 g/mol
Exact Mass274.01
IUPAC Namepotassium 6,7-dimethylnaphthalene-2-sulfonate
SMILESCc1cc2ccc(S(=O)(=O)[O-])cc2cc1C.[K+]
InChIInChI=1S/C12H12O3S.K/c1-8-5-10-3-4-12(16(13,14)15)7-11(10)6-9(8)2;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1
InChIKeyPDWFMWICOALJMH-UHFFFAOYSA-M
XLogP-0.64
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
sodium 6-(4-methylanilino)naphthalene-2-sulfonate
CID 23681042
sodium 6,7-dipropylnaphthalene-2-sulfonate
CID 101324973
potassium 6,7-di(undecyl)naphthalene-2-sulfonate
CID 101324091
hexakis(ethane-1,2-diamine);bis(naphthalene-2,6-disulfonate);bis(nickel(2+));dihydrate
CID 139066976
sodium 7-(4-methylanilino)naphthalene-2-sulfonate
CID 101140046
sodium 6-ethylnaphthalene-2-sulfonate
CID 101315129

Frequently Asked Questions

What is the IUPAC name of potassium 6,7-dimethylnaphthalene-2-sulfonate?
The IUPAC name of potassium 6,7-dimethylnaphthalene-2-sulfonate (CID 101323807) is potassium 6,7-dimethylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 6,7-dimethylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 6,7-dimethylnaphthalene-2-sulfonate is Cc1cc2ccc(S(=O)(=O)[O-])cc2cc1C.[K+].
What is the InChIKey of potassium 6,7-dimethylnaphthalene-2-sulfonate?
The InChIKey is PDWFMWICOALJMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12O3S.K/c1-8-5-10-3-4-12(16(13,14)15)7-11(10)6-9(8)2;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 6,7-dimethylnaphthalene-2-sulfonate?
potassium 6,7-dimethylnaphthalene-2-sulfonate has a molecular weight of 274.38 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6,7-dimethylnaphthalene-2-sulfonate is sourced from PubChem (CID 101323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).