potassium;hydride;2,4,6-triethylbenzenesulfinic acid

C12H19KO2S — CID 173027370

IUPACpotassium;hydride;2,4,6-triethylbenzenesulfinic acid
SMILESCCc1cc(CC)c(S(=O)O)c(CC)c1.[H-].[K+]
InChIInChI=1S/C12H18O2S.K.H/c1-4-9-7-10(5-2)12(15(13)14)11(6-3)8-9;;/h7-8H,4-6H2,1-3H3,(H,13,14);;/q;+1;-1
InChIKeyDWJAXQGOJCAENJ-UHFFFAOYSA-N
MW266.45 g/mol
LogP0.07
Rot. Bonds4

About potassium;hydride;2,4,6-triethylbenzenesulfinic acid

potassium;hydride;2,4,6-triethylbenzenesulfinic acid (PubChem CID 173027370) has the molecular formula C12H19KO2S and a molecular weight of 266.45 g/mol. Its IUPAC name is potassium;hydride;2,4,6-triethylbenzenesulfinic acid.

Molecular Properties

Compound Namepotassium;hydride;2,4,6-triethylbenzenesulfinic acid
PubChem CID173027370
Molecular FormulaC12H19KO2S
Molecular Weight266.45 g/mol
Exact Mass266.07
IUPAC Namepotassium;hydride;2,4,6-triethylbenzenesulfinic acid
SMILESCCc1cc(CC)c(S(=O)O)c(CC)c1.[H-].[K+]
InChIInChI=1S/C12H18O2S.K.H/c1-4-9-7-10(5-2)12(15(13)14)11(6-3)8-9;;/h7-8H,4-6H2,1-3H3,(H,13,14);;/q;+1;-1
InChIKeyDWJAXQGOJCAENJ-UHFFFAOYSA-N
XLogP0.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2,4,6-triethylbenzenesulfinic acid?
The IUPAC name of potassium;hydride;2,4,6-triethylbenzenesulfinic acid (CID 173027370) is potassium;hydride;2,4,6-triethylbenzenesulfinic acid.
What is the SMILES notation for potassium;hydride;2,4,6-triethylbenzenesulfinic acid?
The canonical SMILES for potassium;hydride;2,4,6-triethylbenzenesulfinic acid is CCc1cc(CC)c(S(=O)O)c(CC)c1.[H-].[K+].
What is the InChIKey of potassium;hydride;2,4,6-triethylbenzenesulfinic acid?
The InChIKey is DWJAXQGOJCAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S.K.H/c1-4-9-7-10(5-2)12(15(13)14)11(6-3)8-9;;/h7-8H,4-6H2,1-3H3,(H,13,14);;/q;+1;-1.
What are the key properties of potassium;hydride;2,4,6-triethylbenzenesulfinic acid?
potassium;hydride;2,4,6-triethylbenzenesulfinic acid has a molecular weight of 266.45 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2,4,6-triethylbenzenesulfinic acid is sourced from PubChem (CID 173027370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).