Thioacetic acid - ≥95% , CAS No.507-09-5

CAS: 507-09-5 Cat. No.: T112604 Summenformel: C₂H₄OS Molekulargewicht: 76.12 Beilstein Registry Number: 2230 EG-Nummer: 208-063-8 PubChem CID: 10484

GRADE & PURITY ≥95%

Synonyms

A11392 | Thiacetic acid | AKOS015995385 | Kyselina thiooctova [Czech] | Potassium thioacetate | Thioacetic acid, 96% | C01857 | Acetic acid, thio- | J-520441 | MFCD00004853 | ethanethioic O-acid | Ethanethioic S-acid | MeCOSH | EINECS 208-063-8 | Thionoac

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

Thioacetic acid (TAA) can undergo:

• Enantioselective addition to nitroalkenes to form chiral 1,2-aminothiol derivatives in the presence of a novel sulfinyl urea organocatalyst. This method has been successfully employed in the synthesis of antifungal drug, sulconazole.

• Asymmetric Michael addition reaction with chalcones in the presence of a bifunctional amine thiourea catalyst to form synthetically useful thioesters.

• Asymmetric 1,6-conjugate addition with para-quinone methides in the presence of a chiral phosphoric acid catalyst to form chiral sulfur-containing diphenylmethane-type compounds.

• Conjugate addition to methacrylamides with chiral trans-2,5-disubstituted pyrrolidine auxiliaries to form chiral β-mercaptocarboxylic acid derivatives.

Thioacetic acid is a reagent for introduction of the thiol group into organic molecules.

A reagent for introduction of the thiol group into organic molecules.

Specifications

Synonyme

A11392 | Thiacetic acid | AKOS015995385 | Kyselina thiooctova [Czech] | Potassium thioacetate | Thioacetic acid, 96% | C01857 | Acetic acid, thio- | J-520441 | MFCD00004853 | ethanethioic O-acid | Ethanethioic S-acid | MeCOSH | EINECS 208-063-8 | Thionoac

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508815281

Kanonisches Lächeln

CC(=O)S

IUPAC Name

ethanethioic S-acid

InChIKey

DUYAAUVXQSMXQP-UHFFFAOYSA-N

INCHI

1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

Isomere SMILES

CC(=O)S

WGK Deutschland

3

RTECS

AJ5600000

PubChem CID

10484

UN-Nummer

2436

Verpackungsgruppe

II

Molekulargewicht

76.12

Beilstein

2230

Reaxy-Rn

773684

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carbothioic S-acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carbothioic S-acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbothioic S-acids
• Alternative Parents: Carbodithioic acids Thiocarboxylic acids and derivatives Carboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-acid - Carbodithioic acid - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbothioic s-acids. These are organic acids with the general formula RCS-OH (R=H, organic group).
• External Descriptors: thioacetic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water. (27g/L) at 16°C.
• Empfindlichkeit: Air & Heat sensitive,Moisture sensitive.
• Brechungsindex: 1.463
• Flammpunkt (°F): 52°F
• Flammpunkt (°C): 51.8 °F
• Siedepunkt (°C): 88-91.5°C
• Schmelzpunkt (°C): -17°C
• Molekulargewicht: 76.120 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 75.9983 Da
• Monoisotopic Mass: 75.9983 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1