CAS 10387-40-3|Thioacetic acid potassium salt|硫代乙酸钾|potassium ion thioacetate|Potassium thioacetate|Potassium ethanethioate|potassium acetylsulfanide|potassium thioacetate|Potassium thioacetate...

General Information

Structure

Molecular Formula

C₂H₃KOS

Molecular Mass

114.20792

Exact Mass

113.9541674

Charge

InChI

InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

InChIKey

AFNBMGLGYSGFEZ-UHFFFAOYSA-M

Canonic Smiles

[S-]C(=O)C.[K+]

Isomeric Smiles

O=C(C)[S-].[K+]

Calculated Properties

JChem

Acid pKa

0.6245457

H Acceptors

H Donor

LogD (pH = 5.5)

-0.8527387

LogD (pH = 7.4)

-0.8528124

Log P

0.29016864

Molar Refractivity

19.7997

Polarizability

7.9425406

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Thioacetic acid potassium salt硫代乙酸钾Potassium thioacetatePotassium ethanethioatePotassium thioacetateEthanethioic acid potassium saltPOTASSIUM THIOACETATE硫代醋酸钾盐乙硫羟酸钾盐Thiolacetic acid potassium saltpotassium acetylsulfanidePotassium Thioethanoate硫代乙酸钾盐Potassium ThiolacetateMeCOSKS-Potassium ThioacetatePotassium Ethanethioate

IUPAC Traditional name

potassium ion thioacetate potassium thioacetate

IUPAC name

potassium acetylsulfanide

Names and Identifiers

Registration numbers

MDL Number

MFCD00137704MFCD00083065

CAS Number

EC Number

PubChem SID

Beilstein Number

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02102712

Purity: 98+%
Reagent used in preparation of thiols from halides

Sigma Aldrich

241776

Application
Palladium mediated coupling with aryl halides and triflates leading to S-arylthioacetates and derivatives.1
Reagent in the preparation of thiols from halides.
Packaging
25, 100 g in glass bottle

TRC

P698500

Potassium Thioacetate is the potassium salt of Thioacetic Acid, a commonly used reagent in organic synthesis for the introduction of thiol groups in molecules.

Molecule Details

References

PubChem Literature

From Data Sources

• Chapman, J.H. et al.: J. Chem. Soc., 579 (1950)

• Reagent for the conversion of halides and sulfonates to thiols via the thiol acetates, thus avoiding the problem of sulfide formation: J. Chem. Soc., 579 (1950).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

potassium ion thioacetate potassium thioacetate

IUPAC name

potassium acetylsulfanide

Registration numbers

MDL Number

MFCD00137704MFCD00083065

CAS Number

EC Number

PubChem SID

Beilstein Number

PubChem CID

Molecule Details

Purity: 98+%
Reagent used in preparation of thiols from halides

Sigma Aldrich

241776

TRC

P698500

Potassium Thioacetate is the potassium salt of Thioacetic Acid, a commonly used reagent in organic synthesis for the introduction of thiol groups in molecules.

References

PubChem Literature

From Data Sources

• Chapman, J.H. et al.: J. Chem. Soc., 579 (1950)

• Reagent for the conversion of halides and sulfonates to thiols via the thiol acetates, thus avoiding the problem of sulfide formation: J. Chem. Soc., 579 (1950).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:90363