CAS 17126-62-4

Ethyl 3-isothiocyanatopropionate

Description:

Ethyl 3-isothiocyanatopropionate, with the CAS number 17126-62-4, is an organic compound characterized by the presence of an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid and has a distinctive pungent odor, which is common among isothiocyanates. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic ethyl ester component. Ethyl 3-isothiocyanatopropionate is known for its potential applications in the fields of agriculture, particularly as a bioactive compound with pest-repellent properties. Additionally, it may serve as a building block in organic synthesis, contributing to the development of various chemical products. The compound's reactivity is influenced by the isothiocyanate group, which can participate in nucleophilic reactions, making it valuable in medicinal chemistry and the synthesis of other functionalized compounds. As with many isothiocyanates, it may exhibit biological activity, including antimicrobial and anticancer properties, warranting further investigation into its potential therapeutic applications.

Formula: C₆H₉NO₂S

InChI: InChI=1/C6H9NO2S/c1-2-9-6(8)3-4-7-5-10/h2-4H2,1H3

SMILES: CCOC(=O)CCN=C=S

Synonyms:

• 3-Isothiocyanatopropionic acid ethyl ester
• ethyl N-(thioxomethylidene)-beta-alaninate

Ethyl 3-isothiocyanatopropionate, 97%

CAS: 17126-62-4

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₆H₉NO₂S

Purity: 97%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 159.20

Ref: 02-L10911

ethyl 3-isothiocyanatopropanoate

CAS: 17126-62-4

Formula: C₆H₉NO₂S

Purity: 97%

Molecular weight: 159.2062

Ref: IN-DA003Q80

Ethyl 3-isothiocyanatopropionate

CAS: 17126-62-4

Ethyl 3-isothiocyanatopropionate

Purity: ≥95%

Molecular weight: 159.21g/mol

Ref: 54-OR315252

Ethyl 3-isothiocyanatopropionate

CAS: 17126-62-4

Formula: C₆H₉NO₂S

Purity: 98.0%

Color and Shape: Liquid

Molecular weight: 159.2

Ref: 10-F008967

Ethyl 3-isothiocyanatopropionate

CAS: 17126-62-4

The chemical structure of ethyl 3-isothiocyanatopropionate is cyclic, linear, pentapeptide, proteolytically, deacylation, chain, residue, peptidic. It is metabolically a non-competitive inhibitor of the enzyme histone deacetylase and an inhibitor of the enzymes that catalyze the formation of protein crosslinks. Ethyl 3-isothiocyanatopropionate is stable in human plasma and has permeable properties. It inhibits the activity of histone deacetylases at high concentrations by binding to a hydrophobic pocket on their surface. Ethyl 3-isothiocyanatopropionate is not metabolized but can be cleaved from its target by proteases or acid treatment.

Formula: C₆H₉NO₂S

Purity: Min. 95%

Molecular weight: 159.2 g/mol

Ref: 3D-SAA12662