dipotassium;2,5-dimethylbenzene-1,3-disulfonate

C8H8K2O6S2 — CID 102504104

IUPACdipotassium;2,5-dimethylbenzene-1,3-disulfonate
SMILESCc1cc(S(=O)(=O)[O-])c(C)c(S(=O)(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C8H10O6S2.2K/c1-5-3-7(15(9,10)11)6(2)8(4-5)16(12,13)14;;/h3-4H,1-2H3,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyRLCRJVGYARFWDB-UHFFFAOYSA-L
MW342.48 g/mol
LogP-5.88
Rot. Bonds2

About dipotassium;2,5-dimethylbenzene-1,3-disulfonate

dipotassium;2,5-dimethylbenzene-1,3-disulfonate (PubChem CID 102504104) has the molecular formula C8H8K2O6S2 and a molecular weight of 342.48 g/mol. Its IUPAC name is dipotassium;2,5-dimethylbenzene-1,3-disulfonate.

Molecular Properties

Compound Namedipotassium;2,5-dimethylbenzene-1,3-disulfonate
PubChem CID102504104
Molecular FormulaC8H8K2O6S2
Molecular Weight342.48 g/mol
Exact Mass341.90
IUPAC Namedipotassium;2,5-dimethylbenzene-1,3-disulfonate
SMILESCc1cc(S(=O)(=O)[O-])c(C)c(S(=O)(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C8H10O6S2.2K/c1-5-3-7(15(9,10)11)6(2)8(4-5)16(12,13)14;;/h3-4H,1-2H3,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyRLCRJVGYARFWDB-UHFFFAOYSA-L
XLogP-5.88
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 5-5.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dipotassium;2,5-dimethylbenzene-1,3-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cesium 2,5-dimethylbenzenesulfonate
CID 100951961
dilithium;3-methylnaphthalene-1,5-disulfonate
CID 140636726
3-methylnaphthalene-1-sulfonate
CID 59366561
3-methylnaphthalene-1,5-disulfonate
CID 58611257
5-methyl-1,2,3-tris(methylsulfonyl)benzene
CID 91380016
3,5-dimethylnaphthalene-1-sulfonate;ethane
CID 54368356
tripotassium;5-aminobenzene-1,2,4-trisulfonate
CID 101305566
calcium bis(5-amino-3-chloro-2-methylbenzenesulfonate)
CID 101303910
potassium 3-amino-5-methylbenzenesulfonate
CID 101303620
potassium 3-hydroxy-5-methylbenzenesulfonate
CID 23712897
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
trisodium;5-bis(2,4-dimethyl-5-sulfonatophenyl)phosphanyl-2,4-dimethylbenzenesulfonate
CID 11239198

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,5-dimethylbenzene-1,3-disulfonate?
The IUPAC name of dipotassium;2,5-dimethylbenzene-1,3-disulfonate (CID 102504104) is dipotassium;2,5-dimethylbenzene-1,3-disulfonate.
What is the SMILES notation for dipotassium;2,5-dimethylbenzene-1,3-disulfonate?
The canonical SMILES for dipotassium;2,5-dimethylbenzene-1,3-disulfonate is Cc1cc(S(=O)(=O)[O-])c(C)c(S(=O)(=O)[O-])c1.[K+].[K+].
What is the InChIKey of dipotassium;2,5-dimethylbenzene-1,3-disulfonate?
The InChIKey is RLCRJVGYARFWDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O6S2.2K/c1-5-3-7(15(9,10)11)6(2)8(4-5)16(12,13)14;;/h3-4H,1-2H3,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2.
What are the key properties of dipotassium;2,5-dimethylbenzene-1,3-disulfonate?
dipotassium;2,5-dimethylbenzene-1,3-disulfonate has a molecular weight of 342.48 g/mol, XLogP of -5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,5-dimethylbenzene-1,3-disulfonate is sourced from PubChem (CID 102504104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).