CAS 229621-21-0: 1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]-

Description: 1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]- is a complex organic compound characterized by its unique structural features, including a pyrrole ring and multiple functional groups. The presence of the pyrrol-1-yloxy moiety suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to interact with biological systems. The compound also contains methylsulfonyl groups, which can enhance solubility and bioavailability, making it of interest in drug formulation. Its tetramethyl substitution indicates a high degree of steric hindrance, which may influence its reactivity and interactions with other molecules. Additionally, the compound's molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and redox processes. Overall, the characteristics of this compound highlight its potential utility in various chemical and pharmaceutical applications, although specific properties such as solubility, melting point, and stability would require empirical determination.

Formula: C₁₂H₂₂NO₅S₄

InChI: InChI=1/C12H23NO5S4/c1-11(2)9(7-19-21(5,15)16)10(8-20-22(6,17)18)12(3,4)13(11)14/h14H,7-8H2,1-6H3

InChI key: InChIKey=DOHSEZLMLUMFEE-UHFFFAOYSA-N

SMILES: [O]N1C(C(=C(CSS(=O)(=O)C)C1(C)C)CSS(=O)(=O)C)(C)C

Synonyms:

• HO 1944
• HO-1944
• 1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]-

1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]- (9CI)

CAS: 229621-21-0

• Formula: C₁₂H₂₂NO₅S₄
• Color and Shape: Solid
• Molecular weight: 388.5668

3,4-Bis-(methanethiosulfonylmethyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yloxy Radical

CAS: 229621-21-0

Applications A highly reactive thiol-specific cross-linking spin-label.

• Formula: C₁₂H₂₂NO₅S₄
• Color and Shape: Neat
• Molecular weight: 388.57