CAS 132483-78-4

1,3-Diethyl 2-[4-(aminothioxomethyl)phenyl]-2-methylpropanedioate

Description:

1,3-Diethyl 2-[4-(aminothioxomethyl)phenyl]-2-methylpropanedioate, identified by its CAS number 132483-78-4, is a chemical compound characterized by its complex structure, which includes diethyl ester groups and a phenyl ring substituted with an aminothioxomethyl group. This compound typically exhibits properties associated with esters, such as being relatively non-volatile and having moderate solubility in organic solvents. The presence of the aminothioxomethyl group suggests potential reactivity, particularly in nucleophilic substitution reactions, and may impart biological activity, making it of interest in medicinal chemistry. The compound's molecular structure indicates it may participate in various chemical reactions, including esterification and potential interactions with biological targets. Its specific applications and behavior in chemical reactions would depend on the functional groups present and their interactions with other molecules. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₅H₁₉NO₄S

InChI: InChI=1S/C15H19NO4S/c1-4-19-13(17)15(3,14(18)20-5-2)11-8-6-10(7-9-11)12(16)21/h6-9H,4-5H2,1-3H3,(H2,16,21)

InChI key: InChIKey=CQVOHQVDQPGMOP-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)(C)C1=CC=C(C(N)=S)C=C1

Synonyms:

• 1,3-Diethyl 2-[4-(aminothioxomethyl)phenyl]-2-methylpropanedioate
• Propanedioic acid, [4-(aminothioxomethyl)phenyl]methyl-, diethyl ester
• Propanedioic acid, 2-[4-(aminothioxomethyl)phenyl]-2-methyl-, 1,3-diethyl ester

Propanedioic acid, 2-[4-(aminothioxomethyl)phenyl]-2-methyl-, 1,3-diethyl ester

CAS: 132483-78-4

Formula: C₁₅H₁₉NO₄S

Molecular weight: 309.3807

Ref: IN-DA0010QN