Potassium ethanethioate
Basic information
- CAS
10387-40-3- Standard SMILES
CC(=O)S.[K]- InChIKey
SDJHDRMYZQFJJO-UHFFFAOYSA-N- Molecular formula
- C2H4KOS
- Average molar mass
- 115.22 g/mol
- Monoisotopic mass
- 114.96199241
Names & identifiers
- Preferred name
- Potassium ethanethioate
- English name
- Potassium thioacetate
- Molecular formula
- C2H4OS.K
- Molecular weight
- 115.22
Names & synonyms
potassium ethanethioateSCHEMBL29749902AKOS040745071D92569MeCOSKS-POTASSIUM THIOACETATEKTAAPotasium thioacetatePOTASSIUM THIOLACETATEPotassium thioacetate,98%CID 24201352Kaliumthioacetat
Show more names
Potassium thioacete
Database identifiers
- CAS
10387-40-3- PubChem CID
- 24201352
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 33
Physicochemical properties
- Melting point
- 173 · 173-176 °C (lit.)
- Density
- 1.58 g/cm3 · 1.58 g/cm3
- bulk density
- 500 kg/m3 · 500kg/m3
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble
- form
- Crystalline Powder, Crystals or Chunks
- pka
- 3.6 · 3.6
- color
- White to light brown
- Water Solubility
- soluble
- Sensitive
- Air Sensitive & Hygroscopic
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- BRN
- 3595448 · 3595448
- InChI
- InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
- InChIKey
- AFNBMGLGYSGFEZ-UHFFFAOYSA-M
- SMILES
- C([S-])(=O)C.[K+]
- CAS DataBase Reference
- 10387 · 10387-40-3(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-9-13-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- hs_code
- 29309070
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesPotassium Thioacetate is the potassium salt of Thioacetic Acid, a commonly used reagent in organic synthesis for the introduction of thiol groups in molecules.
UsesPotassium thioacetate is used for palladium mediated coupling with aryl halides and triflates leading to S-arylthioacetates and derivatives. It is also used as a reagent in the conversion of halides to thiols.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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