potassium ethanethioate

• ChemBase ID: 180132
• Molecular Formular: C2H3KOS
• Molecular Mass: 114.20792
• Monoisotopic Mass: 113.9541674
• SMILES: C(=S)([O-])C.[K+]
• Canonical SMILES: [O-]C(=S)C.[K+]
• InChI: InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• InChIKey: AFNBMGLGYSGFEZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium ethanethioate
• IUPAC Traditional name: potassium ethanethioate
• Synonyms: Potassium thioacetate

Database IDs

• CAS Number: 10387-40-3
• PubChem SID: 164236042
• PubChem CID: 23670855

CALCULATED PROPERTIES

• Acid pKa: 4.427926
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.43935055
• LogD (pH = 7.4): -2.1997945
• Log P: 0.6665239
• Molar Refractivity: 31.4717 cm^3
• Polarizability: 8.126938 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true