potassium ethanethiolate

C2H5KS — CID 11768507

IUPACpotassium ethanethiolate
SMILESCC[S-].[K+]
InChIInChI=1S/C2H6S.K/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyZPFBCFAPICAMJZ-UHFFFAOYSA-M
MW100.23 g/mol
LogP-2.44
Rot. Bonds

About potassium ethanethiolate

potassium ethanethiolate (PubChem CID 11768507) has the molecular formula C2H5KS and a molecular weight of 100.23 g/mol. Its IUPAC name is potassium ethanethiolate.

Molecular Properties

Compound Namepotassium ethanethiolate
PubChem CID11768507
Molecular FormulaC2H5KS
Molecular Weight100.23 g/mol
Exact Mass99.97
IUPAC Namepotassium ethanethiolate
SMILESCC[S-].[K+]
InChIInChI=1S/C2H6S.K/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyZPFBCFAPICAMJZ-UHFFFAOYSA-M
XLogP-2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.23
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze potassium ethanethiolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium ethanethiolate?
The IUPAC name of potassium ethanethiolate (CID 11768507) is potassium ethanethiolate.
What is the SMILES notation for potassium ethanethiolate?
The canonical SMILES for potassium ethanethiolate is CC[S-].[K+].
What is the InChIKey of potassium ethanethiolate?
The InChIKey is ZPFBCFAPICAMJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6S.K/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1.
What are the key properties of potassium ethanethiolate?
potassium ethanethiolate has a molecular weight of 100.23 g/mol, XLogP of -2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethanethiolate is sourced from PubChem (CID 11768507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).