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

CAS: 507-09-5 Cat. No.: T112604 Fórmula: C₂H₄OS Peso molecular: 76.12 Beilstein Registry Number: 2230 Número CE: 208-063-8 PubChem CID: 10484

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508815281

Sorrisos canónicos

CC(=O)S

IUPAC Name

ethanethioic S-acid

InChIKey

DUYAAUVXQSMXQP-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC(=O)S

WGK Alemanha

3

RTECS

AJ5600000

PubChem CID

10484

Número UN

2436

Grupo de embalagem

II

Peso molecular

76.12

Beilstein

2230

Reaxy-Rn

773684

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water. (27g/L) at 16°C.
• Sensibilidade: Air & Heat sensitive,Moisture sensitive.
• Índice de refração: 1.463
• Ponto de inflamação (°F): 52°F
• Ponto de inflamação (°C): 51.8 °F
• Ponto de ebulição (°C): 88-91.5°C
• Ponto de fusão (°C): -17°C
• Peso molecular: 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