CAS 889940-53-8

5-(1,1-Dioxido-2-isothiazolidinyl)-2-methylbenzenamine

Description:

5-(1,1-Dioxido-2-isothiazolidinyl)-2-methylbenzenamine, identified by its CAS number 889940-53-8, is a chemical compound that features a unique structure combining an isothiazolidine ring with a substituted aniline moiety. This compound is characterized by the presence of a dioxido group, which contributes to its potential reactivity and stability. The isothiazolidine ring is known for its role in various biological activities, making this compound of interest in medicinal chemistry. The methyl group on the benzene ring can influence the compound's lipophilicity and overall biological interactions. Additionally, the presence of the amine functional group suggests potential for hydrogen bonding, which may enhance solubility in polar solvents. Overall, this compound's structural features may confer specific properties that could be explored for applications in pharmaceuticals or agrochemicals, although detailed studies would be necessary to fully understand its behavior and potential uses.

Formula: C₁₀H₁₄N₂O₂S

InChI: InChI=1S/C10H14N2O2S/c1-8-3-4-9(7-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3

InChI key: InChIKey=ZKUMMUCRIGJVIV-UHFFFAOYSA-N

SMILES: O=S1(=O)N(CCC1)C2=CC(N)=C(C)C=C2

Synonyms:

• 5-(1,1-Dioxido-2-isothiazolidinyl)-2-methylbenzenamine
• Benzenamine, 5-(1,1-dioxido-2-isothiazolidinyl)-2-methyl-

2-(3-Amino-4-methylphenyl)-1λ⁶,2-thiazolidine-1,1-dione

CAS: 889940-53-8

Versatile small molecule scaffold

Formula: C₁₀H₁₄N₂O₂S

Purity: Min. 95%

Molecular weight: 226.3 g/mol

Ref: 3D-PKB94053