dipotassium;methanesulfonate;chloride

CH3ClK2O3S — CID 19881899

IUPACdipotassium;methanesulfonate;chloride
SMILESCS(=O)(=O)[O-].[Cl-].[K+].[K+]
InChIInChI=1S/CH4O3S.ClH.2K/c1-5(2,3)4;;;/h1H3,(H,2,3,4);1H;;/q;;2*+1/p-2
InChIKeyITDGEPHGACXHPZ-UHFFFAOYSA-L
MW208.75 g/mol
LogP-9.83
Rot. Bonds

About dipotassium;methanesulfonate;chloride

dipotassium;methanesulfonate;chloride (PubChem CID 19881899) has the molecular formula CH3ClK2O3S and a molecular weight of 208.75 g/mol. Its IUPAC name is dipotassium;methanesulfonate;chloride.

Molecular Properties

Compound Namedipotassium;methanesulfonate;chloride
PubChem CID19881899
Molecular FormulaCH3ClK2O3S
Molecular Weight208.75 g/mol
Exact Mass207.88
IUPAC Namedipotassium;methanesulfonate;chloride
SMILESCS(=O)(=O)[O-].[Cl-].[K+].[K+]
InChIInChI=1S/CH4O3S.ClH.2K/c1-5(2,3)4;;;/h1H3,(H,2,3,4);1H;;/q;;2*+1/p-2
InChIKeyITDGEPHGACXHPZ-UHFFFAOYSA-L
XLogP-9.83
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 5-9.83
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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Frequently Asked Questions

What is the IUPAC name of dipotassium;methanesulfonate;chloride?
The IUPAC name of dipotassium;methanesulfonate;chloride (CID 19881899) is dipotassium;methanesulfonate;chloride.
What is the SMILES notation for dipotassium;methanesulfonate;chloride?
The canonical SMILES for dipotassium;methanesulfonate;chloride is CS(=O)(=O)[O-].[Cl-].[K+].[K+].
What is the InChIKey of dipotassium;methanesulfonate;chloride?
The InChIKey is ITDGEPHGACXHPZ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O3S.ClH.2K/c1-5(2,3)4;;;/h1H3,(H,2,3,4);1H;;/q;;2*+1/p-2.
What are the key properties of dipotassium;methanesulfonate;chloride?
dipotassium;methanesulfonate;chloride has a molecular weight of 208.75 g/mol, XLogP of -9.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;methanesulfonate;chloride is sourced from PubChem (CID 19881899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).