CAS 1558-97-0

1,3-Diethyl 2-[2-(phenylthio)ethyl]propanedioate

Description:

1,3-Diethyl 2-[2-(phenylthio)ethyl]propanedioate, with CAS number 1558-97-0, is an organic compound characterized by its ester functional groups and a complex structure that includes both ethyl and phenylthio substituents. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic characteristics. The presence of the phenylthio group contributes to its potential reactivity and applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the diethyl ester moiety suggests that it may participate in various chemical reactions, including esterification and hydrolysis. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose health risks if ingested or inhaled. Proper storage and handling protocols are essential to ensure safety in laboratory environments.

Formula: C₁₅H₂₀O₄S

InChI: InChI=1S/C15H20O4S/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

InChI key: InChIKey=XNJMBDCTYAVRKZ-UHFFFAOYSA-N

SMILES: C(CCSC1=CC=CC=C1)(C(OCC)=O)C(OCC)=O

Synonyms:

• Propanedioic acid, [2-(phenylthio)ethyl]-, diethyl ester
• Propanedioic acid, 2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester
• Malonic acid, [2-(phenylthio)ethyl]-, diethyl ester
• 1,3-Diethyl 2-[2-(phenylthio)ethyl]propanedioate
• 1,3-Diethyl 2-[2-(phenylsulfanyl)ethyl]propanedioate

Propanedioic acid, 2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester

CAS: 1558-97-0

Formula: C₁₅H₂₀O₄S

Molecular weight: 296.3819

Ref: IN-DA001O8F