81213-52-7
Product Name:
(1-Oxyl-2,2,5,5-tetramethyl--pyrroline-3-methyl) Methanethiosulfonate
Formula:
C10H18NO3S2-
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COMPUTED DESCRIPTORS
| Molecular Weight | 264.4 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.07281078 g/mol |
| Monoisotopic Mass | 264.07281078 g/mol |
| Topological Polar Surface Area | 72.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 404 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate is an aminooxyl that is pyrroline substituted by an oxidanediyl group at position 1, by methyl groups at positions 2, 2, 5 and 5, and by a [(methylsulfonyl)sulfanyl]methyl group at position 3. It is a highly reactive thiol-specific spin label. It has a role as a spin label. It is a member of aminoxyls, a thiosulfonate ester and a pyrroline.