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Potassium thioacetate

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Name

Potassium thioacetate

EINECS 233-848-7
CAS No. 10387-40-3 Density 1.046 g/cm3
PSA 17.07000 LogP 0.07980
Solubility Soluble in water Melting Point 173-176 °C(lit.)
Formula C2H4KOS Boiling Point 130.6 °C at 760 mmHg
Molecular Weight 114.21 Flash Point 32.8 °C
Transport Information N/A Appearance White crystalline powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10387-40-3 (Potassium thioacetate) Hazard Symbols IrritantXi
Synonyms

Aceticacid, thio-, potassium salt (8CI);Ethanethioic acid, potassium salt (9CI);Potassium ethanethioate;Potassiumthioethanoate;S-Potassium thioacetate;

Article Data 5

Potassium thioacetate Synthetic route

507-09-5

thioacetic acid

10387-40-3

potassium thioacetate

Conditions
ConditionsYield
With potassium hydride In diethyl ether for 65h; Ambient temperature;79%
With potassium hydroxide In ethanol at 20℃;
463-51-4

Ketene

10387-40-3

potassium thioacetate

Conditions
ConditionsYield
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%
507-09-5

thioacetic acid

10387-40-3

potassium thioacetate

Conditions
ConditionsYield
With potassium hydroxide In ethanol Inert atmosphere; Schlenk technique;
109-65-9

1-bromo-butane

10387-40-3

potassium thioacetate

928-47-2

S-butyl ethanethioate

Conditions
ConditionsYield
In tetrahydrofuran Reflux;100%
With ethanol
629-27-6

1-Iodooctane

10387-40-3

potassium thioacetate

2432-34-0

S-octyl thioacetate

Conditions
ConditionsYield
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;
106502-63-0

(Z)-(1SR,2RS,3RS,4RS)-2-(2-oxapropyloxy)-3-(8,10-dioxa-2-undecenyl)-1,4-bis<(p-toluenesulfonyl)oxy>cyclopentane

10387-40-3

potassium thioacetate

106502-64-1

Thioacetic acid S-[(1R,2S,3S,4S)-4-acetylsulfanyl-3-methoxymethoxy-2-((Z)-7-methoxymethoxy-hept-2-enyl)-cyclopentyl] ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 64℃; for 2.5h;100%

(S)-1-bromo-2-((S)-tert-butoxycarbonylphenylalanylamino)propane

10387-40-3

potassium thioacetate

(S)-2-((S)-N-tert-butoxycarbonylphenylalanylamino)propyl ethanethioate

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 20h; Ambient temperature;100%
37085-43-1

2’,3’-O-isopropylidene-5-methyl-5’-O-tosyluridine

10387-40-3

potassium thioacetate

161986-84-1

5'-thioacetyl-2',3'-O-isopropylidenethymidine

Conditions
ConditionsYield
In acetone for 3h; Heating;100%
158946-12-4

3-O-benzyl 1,2-O-isopropylidene-5,6-O-sulfuryl-α-D-glucofuranose

10387-40-3

potassium thioacetate

6-S-acetyl-3-O-benzyl-1,2-O-isopropylidene-5-O-sulfo-6-thio-α-D-glucofuranose potassium salt

Conditions
ConditionsYield
In acetone Ambient temperature;100%
In acetone Ambient temperature;
22633-46-1

5,5-Bis(bromomethyl)[1,3]dioxane

10387-40-3

potassium thioacetate

361559-73-1

5,5-Bis(acetylthiomethyl)[1,3]dioxane

Conditions
ConditionsYield
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

Potassium thioacetate Specification

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%.

Potassium thioacetate is used to produce 2-acetylthiomethyl-1,4-benzodioxan by reaction with 2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine.

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

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