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

CAS: 507-09-5 Cat. No.: T112604 Peso molecular: 76.12 Beilstein Registry Number: 2230 Número EC: 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

Descripción general

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

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)S
• IUPAC Name: ethanethioic S-acid
• InChIKey: DUYAAUVXQSMXQP-UHFFFAOYSA-N
• INCHI: 1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
• Isómeros SMILES: CC(=O)S
• WGK Alemania: 3
• RTECS: AJ5600000
• PubChem CID: 10484
• Número ONU: 2436
• Grupo de embalaje: II
• Peso molecular: 76.12
• Beilstein: 2230
• Reaxy-Rn: 773684

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water. (27g/L) at 16°C.
• Sensibilidad: Air & Heat sensitive,Moisture sensitive.
• Índice de refracción: 1.463
• Punto de inflamación (°F): 52°F
• Punto de inflamación (°C): 51.8 °F
• Punto de ebullición (°C): 88-91.5°C
• Punto de fusión (°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

Referencias

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2. Guangming Lu, Shu Tian, Jingyu Li, Yongjian Xu, Shuan Liu, Jibin Pu.  (2020)  Fabrication of bio-based amphiphilic hydrogel coating with excellent antifouling and mechanical properties.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.128134]

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