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CAS No.: | 10387-40-3 |
---|---|
Name: | Potassium thioacetate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C2H4KOS |
Molecular Weight: | 114.21 |
Synonyms: | Aceticacid, thio-, potassium salt (8CI);Ethanethioic acid, potassium salt (9CI);Potassium ethanethioate;Potassiumthioethanoate;S-Potassium thioacetate; |
EINECS: | 233-848-7 |
Density: | 1.046 g/cm3 |
Melting Point: | 173-176 °C(lit.) |
Boiling Point: | 130.6 °C at 760 mmHg |
Flash Point: | 32.8 °C |
Solubility: | Soluble in water |
Appearance: | White crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 17.07000 |
LogP: | 0.07980 |
thioacetic acid
potassium thioacetate
Conditions | Yield |
---|---|
With potassium hydride In diethyl ether for 65h; Ambient temperature; | 79% |
With potassium hydroxide In ethanol at 20℃; |
Ketene
potassium thioacetate
Conditions | Yield |
---|---|
Stage #1: Ketene With hydrogen sulfide; triethylamine In butan-1-ol at -10 - -5℃; Stage #2: With potassium hydroxide In water; butan-1-ol for 1h; Heating / reflux; | 63% |
thioacetic acid
potassium thioacetate
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol Inert atmosphere; Schlenk technique; |
Conditions | Yield |
---|---|
In tetrahydrofuran Reflux; | 100% |
With ethanol |
Conditions | Yield |
---|---|
With silica gel In benzene at 80℃; for 3h; | 100% |
With silica gel In benzene at 80℃; for 3h; | 100% |
In various solvent(s) for 6h; Ambient temperature; Yield given; |
(Z)-(1SR,2RS,3RS,4RS)-2-(2-oxapropyloxy)-3-(8,10-dioxa-2-undecenyl)-1,4-bis<(p-toluenesulfonyl)oxy>cyclopentane
potassium thioacetate
Thioacetic acid S-[(1R,2S,3S,4S)-4-acetylsulfanyl-3-methoxymethoxy-2-((Z)-7-methoxymethoxy-hept-2-enyl)-cyclopentyl] ester
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 64℃; for 2.5h; | 100% |
potassium thioacetate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 20h; Ambient temperature; | 100% |
2’,3’-O-isopropylidene-5-methyl-5’-O-tosyluridine
potassium thioacetate
5'-thioacetyl-2',3'-O-isopropylidenethymidine
Conditions | Yield |
---|---|
In acetone for 3h; Heating; | 100% |
3-O-benzyl 1,2-O-isopropylidene-5,6-O-sulfuryl-α-D-glucofuranose
potassium thioacetate
Conditions | Yield |
---|---|
In acetone Ambient temperature; | 100% |
In acetone Ambient temperature; |
5,5-Bis(bromomethyl)[1,3]dioxane
potassium thioacetate
5,5-Bis(acetylthiomethyl)[1,3]dioxane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 30h; | 100% |
In N,N-dimethyl-formamide at 20℃; for 24h; | 82% |
In N,N-dimethyl-formamide |
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The Potassium thioacetate with CAS registry number of 10387-40-3 is also known as Ethanethioic acid, potassium salt (9CI). The IUPAC name is Potassium ethanethioate. Its EINECS registry number is 233-848-7. In addition, the formula is C2H3KOS and the molecular weight is 115.20. This chemical is a white crystalline powder that soluble in water. It may cause inflammation to the skin or other mucous membranes and should be sealed in cool, dry place. What's more, this chemical is used for synthesis of anti-AIDS drugs.
Physical properties about Potassium thioacetate are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -3.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)Flash Point: 32.8 °C; (12)Enthalpy of Vaporization: 42.91 kJ/mol; (13)Boiling Point: 130.6 °C at 760 mmHg; (14)Vapour Pressure: 4.3 mmHg at 25 °C.
Uses of Potassium thioacetate: it is used to produce 2-acetylthiomethyl-1,4-benzodioxan by reaction with 2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine. The reaction occurs with solvent acetone and other condition of heating for 15 hours. The yield is about 74%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=O)[S-].[K+]
2. InChI: InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
3. InChIKey: AFNBMGLGYSGFEZ-UHFFFAOYSA-M