CAS 384342-58-9

1H-Pyrrol-1-yl-3-d-1-15N-oxy, 2,5-dihydro-2,2,5,5-tetra(methyl-d3)-4-[[(methylsulfonyl)thio]methyl-d2]-

Description:

The chemical substance known as "1H-Pyrrol-1-yl-3-d-1-15N-oxy, 2,5-dihydro-2,2,5,5-tetra(methyl-d3)-4-[[(methylsulfonyl)thio]methyl-d2]-" with CAS number 384342-58-9 is a complex organic compound characterized by its unique molecular structure, which includes a pyrrole ring and various isotopic labels. The presence of deuterium (d) and nitrogen-15 (15N) isotopes indicates that this compound is likely used in specialized applications such as tracer studies in metabolic research or in the synthesis of labeled compounds for analytical purposes. The methylsulfonyl group suggests potential reactivity and solubility characteristics, while the tetra(methyl-d3) component indicates a high degree of methyl substitution, which may influence the compound's physical and chemical properties, such as boiling point, solubility, and reactivity. Overall, this compound's intricate structure and isotopic labeling make it a valuable tool in both research and industrial applications, particularly in the fields of organic chemistry and pharmacology.

Formula: C₁₀H₃D₁₅NO₃S₂

InChI: InChI=1S/C10H18NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6H,7H2,1-5H3/i1D3,2D3,3D3,4D3,6D,7D2,11+1

InChI key: InChIKey=BLSCGBLQCTWVPO-UODZIOSTSA-N

SMILES: C(SS(C)(=O)=O)(C=1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1[2H])([2H])[2H]

Synonyms:

• 1H-Pyrrol-1-yl-3-d-1-15N-oxy, 2,5-dihydro-2,2,5,5-tetra(methyl-d3)-4-[[(methylsulfonyl)thio]methyl-d2]-

(1-Oxyl-2,2,5,5-tetramethyl-∆3-pyrroline-3-methyl) Methanethiosulfonate-15N,d15

Controlled Product

CAS: 384342-58-9

Applications A thiol reactive spin label compound used to probe the conformation and dynamics of thiolated proteins.

Formula: C₁₀D₁₅H₄₁₅NO₃S₂

Color and Shape: Neat

Molecular weight: 281.48

Ref: TR-O875100