Product Name

  • Name

    Potassium thioacetate

  • EINECS 233-848-7
  • CAS No. 10387-40-3
  • Article Data5
  • CAS DataBase
  • Density 1.046 g/cm3
  • 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
  • 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;
  • PSA 17.07000
  • LogP 0.07980

Synthetic route

thioacetic acid
507-09-5

thioacetic acid

potassium thioacetate
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℃;
Ketene
463-51-4

Ketene

potassium thioacetate
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%
thioacetic acid
507-09-5

thioacetic acid

potassium thioacetate
10387-40-3

potassium thioacetate

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

1-bromo-butane

potassium thioacetate
10387-40-3

potassium thioacetate

S-butyl ethanethioate
928-47-2

S-butyl ethanethioate

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

1-Iodooctane

potassium thioacetate
10387-40-3

potassium thioacetate

S-octyl 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;
(Z)-(1SR,2RS,3RS,4RS)-2-(2-oxapropyloxy)-3-(8,10-dioxa-2-undecenyl)-1,4-bis<(p-toluenesulfonyl)oxy>cyclopentane
106502-63-0

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

potassium thioacetate
10387-40-3

potassium thioacetate

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

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

potassium thioacetate
10387-40-3

potassium thioacetate

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

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

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 20h; Ambient temperature;100%
2’,3’-O-isopropylidene-5-methyl-5’-O-tosyluridine
37085-43-1

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

potassium thioacetate
10387-40-3

potassium thioacetate

5'-thioacetyl-2',3'-O-isopropylidenethymidine
161986-84-1

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

Conditions
ConditionsYield
In acetone for 3h; Heating;100%
3-O-benzyl 1,2-O-isopropylidene-5,6-O-sulfuryl-α-D-glucofuranose
158946-12-4

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

potassium thioacetate
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

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;
5,5-Bis(bromomethyl)[1,3]dioxane
22633-46-1

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

potassium thioacetate
10387-40-3

potassium thioacetate

5,5-Bis(acetylthiomethyl)[1,3]dioxane
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
N-(3,5-bis-{3,5-bis-[3-(adamantan-1-yloxy)-propoxy]-benzyloxy}-benzyl)-2-chloro-acetamide

N-(3,5-bis-{3,5-bis-[3-(adamantan-1-yloxy)-propoxy]-benzyloxy}-benzyl)-2-chloro-acetamide

potassium thioacetate
10387-40-3

potassium thioacetate

Thioacetic acid S-[(3,5-bis-{3,5-bis-[3-(adamantan-1-yloxy)-propoxy]-benzyloxy}-benzylcarbamoyl)-methyl] ester

Thioacetic acid S-[(3,5-bis-{3,5-bis-[3-(adamantan-1-yloxy)-propoxy]-benzyloxy}-benzylcarbamoyl)-methyl] ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;100%
toluene-4-sulfonic acid 4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl ester
1026410-38-7

toluene-4-sulfonic acid 4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl ester

potassium thioacetate
10387-40-3

potassium thioacetate

thioacetic acid S-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl] ester
359699-94-8

thioacetic acid S-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl] ester

Conditions
ConditionsYield
In acetone at 20℃; for 4h;100%
(4R,5R)-di-tert-butyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide
464189-09-1

(4R,5R)-di-tert-butyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide

potassium thioacetate
10387-40-3

potassium thioacetate

(S,S)-di-tert-butyl 2-acetylsulfanyl-3-hydroxysuccinate
464189-10-4

(S,S)-di-tert-butyl 2-acetylsulfanyl-3-hydroxysuccinate

Conditions
ConditionsYield
Stage #1: (4R,5R)-di-tert-butyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide; potassium thioacetate In acetone at 20℃; for 0.5h;
Stage #2: With sulfuric acid In acetone at 20℃; for 3h; Further stages.;		100%
4-(4-bromobutoxy)biphenyl
53669-78-6

4-(4-bromobutoxy)biphenyl

potassium thioacetate
10387-40-3

potassium thioacetate

thioacetic acid S-[4-(biphenyl-4-yloxy)-butyl] ester
525589-30-4

thioacetic acid S-[4-(biphenyl-4-yloxy)-butyl] ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide100%
11-bromo-undecyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)-6-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranoside
492440-49-0

11-bromo-undecyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)-6-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

potassium thioacetate
10387-40-3

potassium thioacetate

11-acetylsulfanyl-undecyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)-6-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranoside
492440-53-6

11-acetylsulfanyl-undecyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)-6-O-benzoyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In butanone at 60℃; for 3h;100%

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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