Welcome to LookChem.com Sign In|Join Free

CAS

  • or
Thioacetic acid, also known as acetyl mercaptan or ethanethioic acid, is a sulfur-containing organic compound used in various synthetic applications, including the enantio- and diastereoselective addition to nitroalkenes for chiral 1,2-aminothiol synthesis and the conversion of L-β-chloroalanine peptides to L-cysteine peptides. It serves as a key reagent in organic transformations, demonstrating versatility in nucleophilic displacement reactions and catalytic processes. Its role in constructing cyclic thiophosphate moieties further highlights its utility in medicinal chemistry, particularly in synthesizing biologically active analogs like 3-O-thia-cPAs.

507-09-5 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 507-09-5 Structure
  • Basic information

    1. Product Name: Thioacetic acid
    2. Synonyms: acetylmercaptan;CH3COSH;Ethanethioic S-acid;Ethanethiolic acid;ethanethiolicacid;Kyselina thiooctova;kyselinathiooctova;Methanecarbothiolic acid
    3. CAS NO:507-09-5
    4. Molecular Formula: C2H4OS
    5. Molecular Weight: 76.12
    6. EINECS: 208-063-8
    7. Product Categories: Pharmaceutical intermediates
    8. Mol File: 507-09-5.mol
  • Chemical Properties

    1. Melting Point: -17 °C
    2. Boiling Point: 97 °C
    3. Flash Point: 52 °F
    4. Appearance: Clear colorless to pale yellow/Liquid
    5. Density: 1.065 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 50.4mmHg at 25°C
    7. Refractive Index: n20/D 1.465(lit.)
    8. Storage Temp.: Refrigerator
    9. Solubility: 27g/l (slow decomposition)
    10. PKA: 3.33(at 25℃)
    11. Water Solubility: 27 g/L (15 ºC) (hydrolyse)
    12. Stability: Stable. Flammable. Incompatible with metals, strong oxidizing agents.
    13. Merck: 14,9320
    14. BRN: 773684
    15. CAS DataBase Reference: Thioacetic acid(CAS DataBase Reference)
    16. NIST Chemistry Reference: Thioacetic acid(507-09-5)
    17. EPA Substance Registry System: Thioacetic acid(507-09-5)
  • Safety Data

    1. Hazard Codes: F,C,Xn
    2. Statements: 11-34-22-43-41
    3. Safety Statements: 9-16-26-36/37/39-45-28-23
    4. RIDADR: UN 2436 3/PG 2
    5. WGK Germany: 3
    6. RTECS: AJ5600000
    7. F: 13-19
    8. TSCA: Yes
    9. HazardClass: 3
    10. PackingGroup: II
    11. Hazardous Substances Data: 507-09-5(Hazardous Substances Data)

507-09-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 507-09-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,0 and 7 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 507-09:
(5*5)+(4*0)+(3*7)+(2*0)+(1*9)=55
55 % 10 = 5
So 507-09-5 is a valid CAS Registry Number.
InChI:InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

507-09-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 25g

  • 191.0CNY

  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 100g

  • 286.0CNY

  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 500g

  • 907.0CNY

  • Detail
  • Sigma-Aldrich

  • (Y0000897)  Racecadotril impurity A  European Pharmacopoeia (EP) Reference Standard

  • 507-09-5

  • Y0000897

  • 1,880.19CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-5G

  • 287.82CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-100G

  • 547.56CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-500G

  • 1,838.07CNY

  • Detail

507-09-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name ethanethioic S-acid

1.2 Other means of identification

Product number -
Other names Ethanethioic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:507-09-5 SDS

507-09-5Synthetic route

acetic acid
64-19-7

acetic acid

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With tetraphosphorus decasulfide; triphenyl antimony oxide In benzene at 40℃; for 1h;92%
With Lawessons reagent In acetonitrile at 100℃; for 0.25h; Inert atmosphere; Microwave irradiation;
acetyl chloride
75-36-5

acetyl chloride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With N,N-dimethylthioformamide; hydrogen sulfide In dichloromethane at 25℃;90%
Ketene
463-51-4

Ketene

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogen sulfide; triethylamine In butan-1-ol at -10 - -5℃;65%
C8H12O4S4(75)Se

C8H12O4S4(75)Se

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogenchloride; 75Se-sodium selenite; sodium acetate at 5℃; for 0.833333h; Equilibrium constant; pH= 2.9; apparent equilibrium constant;
With hydrogenchloride; 75Se-sodium selenite; sodium acetate at 5℃; for 0.833333h; Equilibrium constant; pH= 1.3; apparent equilibrium constant;
acetyl sulfide
3232-39-1

acetyl sulfide

A

Ketene
463-51-4

Ketene

B

methylthiol
74-93-1

methylthiol

C

carbon oxide sulfide
463-58-1

carbon oxide sulfide

D

S-methyl thiolacetate
1534-08-3

S-methyl thiolacetate

E

thioacetic acid
507-09-5

thioacetic acid

F

H2S

H2S

Conditions
ConditionsYield
In chlorobenzene at 256.2℃; Rate constant; Product distribution; Thermodynamic data; log A, Ea; several temperatures;
2-(2-furyl)-1,3-thiazolide-4-carboxylic acid
72678-98-9

2-(2-furyl)-1,3-thiazolide-4-carboxylic acid

A

furfuryl disulfide
4437-20-1

furfuryl disulfide

B

2-thiolomethyl-furan
98-02-2

2-thiolomethyl-furan

C

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With baker's yeast; phosphate buffer at 30℃; for 168h; Product distribution; Further Variations:; pH-values; substrate concentration; aerobic or anaerobic mode;
With baker's yeast; phosphate buffer at 30℃; for 24h; pH=8.0; anaerobic;A n/a
B 37 % Chromat.
C n/a
hydrogen sulfide
7783-06-4

hydrogen sulfide

acetic anhydride
108-24-7

acetic anhydride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
byproducts: acetic acid; in the presence of sodium hydroxide;
byproducts: acetic acid; in the presence of sodium hydroxide;
carbon suboxide
504-64-3

carbon suboxide

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogen sulfide In not given use of excess H2S;;
hydrgensulfide(1-)

hydrgensulfide(1-)

acetyl chloride
75-36-5

acetyl chloride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
Kinetics; byproducts: Cl(1-); in gas phase;
Kinetics; byproducts: Cl(1-); in gas phase;
hydrgensulfide(1-)

hydrgensulfide(1-)

Acetyl bromide
506-96-7

Acetyl bromide

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
Kinetics; byproducts: Br(1-); in gas phase;
Kinetics; byproducts: Br(1-); in gas phase;
parathion-methyl
298-00-0

parathion-methyl

A

4-nitro-phenol
100-02-7

4-nitro-phenol

B

2-propyl-1-pentanol
58175-57-8

2-propyl-1-pentanol

C

O,O,S-trimethyl phosphorothioate
152-20-5

O,O,S-trimethyl phosphorothioate

D

poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

E

methyl paraoxon
950-35-6

methyl paraoxon

F

Diethyl phthalate
84-66-2

Diethyl phthalate

G

hydroquinone
123-31-9

hydroquinone

H

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With oxygen at 22.2 - 25.3℃; Kinetics; Quantum yield; Wavelength; UV-irradiation; Neat (no solvent);
parathion-methyl
298-00-0

parathion-methyl

A

4-nitro-phenol
100-02-7

4-nitro-phenol

B

2-propyl-1-pentanol
58175-57-8

2-propyl-1-pentanol

C

O,O,S-trimethyl phosphorothioate
152-20-5

O,O,S-trimethyl phosphorothioate

D

poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

E

methyl paraoxon
950-35-6

methyl paraoxon

F

propionic acid
802294-64-0

propionic acid

G

hydroquinone
123-31-9

hydroquinone

H

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With water at 22.2 - 25.3℃; Kinetics; Quantum yield; Wavelength; UV-irradiation; Neat (no solvent); Inert atmosphere;

507-09-5Relevant articles and documents

STUDIES ON THE REACTIONS OF SELENITE ION WITH 1,2-DIMERCAPTOETHANE OR THIOACETIC ACID

Czauderna, Marian,Samochocka, Krystyna

, p. 2421 - 2423 (1982)

The reactions are reported between selenite and 1,2-dimercaptoethane (DME) or thioacetic acid (TAA) to form moderately stable derivatives having an enhanced absorptions in the 230-360 nm region in combining molar ratios 3:2 and 4:1, respectively.Both reactions invariably yield one product corresponding to the selenium-containing derivative of DME or TAA.The formation of products is a pH dependent process.The equilibrium constants of reactions between selenite and DME or TAA were measured.

Identification of new anti-inflammatory agents based on nitrosporeusine natural products of marine origin

Philkhana, Satish Chandra,Verma, Abhishek Kumar,Jachak, Gorakhnath R.,Hazra, Bibhabasu,Basu, Anirban,Reddy, D. Srinivasa

, p. 89 - 109 (2017/04/26)

Nitrosporeusines A and B are two recently isolated marine natural products with novel skeleton and exceptional biological profile. Interesting antiviral activity of nitrosporeusines and promising potential in curing various diseases, evident from positive data from various animal models, led us to investigate their anti-inflammatory potential. Accordingly, we planned and synthesized nitrosporeusines A and B in racemic as well as enantiopure forms. The natural product synthesis was followed by preparation of several analogues, and all the synthesized compounds were evaluated for in vitro and in vivo anti-inflammatory potential. Among them, compounds 25, 29 and 40 significantly reduced levels of nitric oxide (NO), reactive oxygen species (ROS) and pro-inflammatory cytokines. In addition, these compounds suppressed several pro-inflammatory mediators including inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), nuclear factor-κB (NF-κB), and thereby can be emerged as potent anti-inflammatory compounds. Furthermore, all possible isomers of lead compound 25 were synthesized, characterized and profiled in same set of assays and found that one of the enantiomer (?)-25a was superior among them.

Photolysis of methyl-parathion thin films: Products, kinetics and quantum yields under different atmospheric conditions

Segal-Rosenheimer, Michal,Dubowski, Yael

scheme or table, p. 193 - 202 (2010/10/01)

The present study focuses on the photodegradation of methyl-parathion thin films, an organophosphate insecticide, under different atmospheric conditions. The latter include nitrogenated, oxygenated and ozonated atmospheres, under low and high relative humidity conditions. Addition of oxygen to the atmospheric mixture did not seem to affect the reaction rates and quantum yields. Relative humidity affect was minor, with a small enhancement in reaction rate under 254. nm radiation. The addition of ozone (to either dry or humid atmosphere), at all concentrations tested, largely enhanced degradation rates. In the absence of ozone, the obtained quantum yields for photolysis of methyl-parathion thin films under 254 and 313. nm were 0.024 ± 0.007 and 0.012 ± 0.005, respectively. These values are higher than the values previously reported for solutions of methanol and water. Although the presence of molecular oxygen and water vapors did not seem to affect much the reaction rates, it did have a certain effect on the resulted products. More polar products were obtained under oxygenated and ozonated atmospheres, as well as dimers under ozone conditions. The reaction on thin films has yielded more toxic products than usually found in solutions, adding alkylphosphate esters in addition to the oxons formed normally.

METHOD FOR THE PRODUCTION OF A THIOACETIC ACID AND SALTS THEREOF

-

Page/Page column 6, (2008/06/13)

The invention relates to a method for the production of an thioacetic acid and salts thereof of formulae (I) and (II), wherein Mn+ represents ammonium or an alkali metal cation, alkaline earth metal cation, aluminium cation or titanium cation, by reacting ketene with hydrogen sulphide in the presence of a nitrogenous base or reacting ketene with an aqueous alkali metal hydrogen sulphide solution. The thioacetic acid thus formed can be, optionally, subsequently transformed into the corresponding salt by reacting it with ammonia or an alkali metal base, alkaline earth metal base, aluminium base or titanium base. The transformation of thioacetic acid and the formation of salt is carried out as a one-pot method.

Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast

Huynh-Ba, Tuong,Matthey-Doret, Walter,Fay, Laurent B.,Rhlid, Rachid Bel

, p. 3629 - 3635 (2007/10/03)

Baker's yeast was shown to catalyze the transformation of cysteine-furfural conjugate into 2-furfurylthiol. The biotransformation's yield and kinetics were influenced by the reaction parameters such as pH, incubation mode (aerobic and anaerobic), and substrate concentration. 2-Furfurylthiol was obtained in an optimal 37% yield when cysteine-furfural conjugate at a 20 mM concentration was anaerobically incubated with whole cell baker's yeast at pH 8.0 and 30 °C. Similarly to 2-furfurylthiol, 5-methyl-2-furfurylthiol (11%), benzylthiol (8%), 2-thiophenemethanethiol (22%), 3-methyl-2-thiophenemethanethiol (3%), and 2-pyrrolemethanethiol (6%) were obtained from the corresponding cysteine-aldehyde conjugates by incubation with baker's yeast. This work indicates the versatile bioconversion capacity of baker's yeast for the generation of thiols from cysteine-aldehyde conjugates. Thanks to its food-grade character, baker's yeast provides a biochemical tool to produce thiols, which can be used as flavorings in foods and beverages.

Methods of immobilizing ligands on solid supports

-

, (2008/06/13)

A method is provided for immobilizing a ligand, e.g., a nucleic acid, on a solid support. The method includes providing a solid support containing an immobilized latent thiol group, activating the thiol group, contacting the activated thiol group with a nucleic acid comprising an acrylamide functional group, and forming a covalent bond between the two groups, thereby immobilizing the nucleic acid to the solid support. Kits containing the solid supports and method of utilizing the solid supports are also provided.

Amino acid derivatives, the process for their preparation and their applications to therapy

-

, (2008/06/13)

Amino acid derivatives of formula (Ia) and (Ib) and prodrugs thereof containing a group responsible for chelating the zinc atom of enkephalinase and angiotensin convertase enzymes are disclosed as inhibitors of these enzymes.

Facile Catalytic Conversion of Carboxylic Acids into Thiocarboxylic S-Acids by the Ph3SbO/P4S10 System

Nomura, Ryoki,Miyazaki, Shin-Ichiro,Nakano, Takahiro,Matsuda, Haruo

, p. 2081 - 2082 (2007/10/02)

Thiocarboxylic S-acids 2 are readily prepared by direct sulfuration of the corresponding carboxylic acids 1 catalyzed by Ph3SbO/P4S10 under mild conditions.

Triester derivatives of N-phosphonomethylthionoglycine as herbicides

-

, (2008/06/13)

This invention relates to triester derivatives of N-phosphonomethylthionoglycine which represent a new class of organic chemical compounds. This invention further relates to herbicidal compositions and methods employing such compounds.

The Mechanism of Thermal Elimination. Part 14. Pyrolysis of Diacetamide, 2-Acetoxypyridine, Diacetyl Sulphide, and Thioacetic Acid: Possible Involvement of Enol Forms in Gas-phase Eliminations

Taylor, Roger

, p. 89 - 96 (2007/10/02)

In the gas phase, diacetamide undergoes unimolecular first-order elimination to give keten and acetamide with log A 12.42 s-1 and Ea 158.23 kJ mol-1 so that the reaction proceeds via a cyclic six-membered transiton state.At 600 K the reaction is 6.7-fold slower than the comparable pyrolysis of acetic anhydride, but 4.4-fold faster than pyrolysis of diacetyl sulphide.This shows that in contrast to ester pyrolysis, heterolysis of the Cα-X bond in these compounds is relatively unimportant, the major rate-determining step being nucleophilic attack of the carbonyl group upon the β-hydrogen; the nucleophilicity of this carbonyl group is probably enhanced by resonance with the lone pair of the group X.The very high reactivity of the diacetyl compounds relative to their ester equivalents suggests that they pyrolyse via the enol forms.Pyrolysis of diacetyl sulphide is accompanied by first-order decomposition of thioacetic acid (one of the primary reaction products) by a number of pathways which give rise to keten, hydrogen sulphide, carbon oxysulphide, methanethiol, and methyl thioacetate, the latter probably arising from a combination of methanethiol with uncharged thioacetic acid which also accounts for the low stoicheiometry (1.8) of the reaction.The rate of elimination of thioacetic acid is governed by the parameters log A 12.5 s-1 and Ea 175.7 kJ mol-1; slightly different values are obtained from the acid produced by decomposition of diacetyl sulphide viz. 12.5 and 173.1 respectively, probably due to the differing initial proportions of the thiono- and thiolo-forms.Decomposition is much faster than the corresponding reactions acetic acid and diacetamide, probably because the nucleophilicity of the thiol group is not lowered by resonance to the extent that operates for the corresponding nucleophiles in acetic acid and acetamide . 2-Acetoxypyridine also undergoes thermal elimination to 2-pyridone and keten, but satisfactory kinetics could not be obtained, due possibly to surface effects and an equilibrium between the N-acetyl and O-acetyl tautomers.The bulk of the compound is much more stable than diacetamide because it exists largely in the O-acetyl form.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 507-09-5