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4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE

4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE structure

CAS No:
215956-55-1
Formula:
C10H17BrNO3S2 *
Chemical Name:
4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE
Synonyms:
4-Bromo-(1-oxyl-2,2,5,5-tetramethyl-delta3-pyrroline-3-methyl) Methanethiosulfonate;3-bromo-1-hydroxy-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole;CTK8E6710;DTXSID20571823;ZINC22053337;AKOS025294916;FT-0663816;J-014168;Q27464863;4-Bromo-(1-oxyl-2,2,5,5-tetramethyl-3-pyrroline-3-methyl) Methanethiosulfonate

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Description

Brown Solid

4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE Basic Attributes

Molecular Weight：

343.28088

Exact Mass：

342.991

DSSTox ID：

DTXSID20571823

Characteristics

PSA：

91.3

XLogP3：

0.8

Density：

1.498g/cm3

Melting Point：

106-109°C

Boiling Point：

454.362ºC at 760 mmHg

Flash Point：

228.59ºC

Refractive Index：

1.573

Storage Conditions：

-20°C Freezer

Vapor Pressure：

0mmHg at 25°C

4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE Use and Manufacturing

The Bromo-analogue of MTSL, a highly reactive thiol-specific spin-label. A specific conformational probe of thiol site structure by virtue of its minimal rotational freedom and distance from the covalent disulfide linkage to the macromolecule under study

Computed Properties

Molecular Weight:344.3
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:342.99115
Monoisotopic Mass:342.99115
Topological Polar Surface Area:91.3
Heavy Atom Count:17
Complexity:449
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1217821-52-7
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Guide of 4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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4-BROMO-(1-OXYL-2,2,5,5-TETRAMETHYL-?3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE

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