MTS-4-Oxyl

CAT: 0024-sc-206196Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-206196Size:10 mg

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CAS Number

384342-59-0

Chemical Information

(1-Oxyl-2,2,5,5-tetramethylpyrroline-3-yl)carbamidoethyl Methanethiosulfonate

CAS Number	384342-59-0
PubChem CID	46782662
IUPAC Name	1-hydroxy-2,2,5,5-tetramethyl-N-(2-methylsulfonylsulfanylethyl)pyrrole-3-carboxamide
Molecular Formula	C12H22N2O4S2
Molecular Weight	322.4
XLogP	0
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	518

SMILES

CC1(C=C(C(N1O)(C)C)C(=O)NCCSS(=O)(=O)C)C

InChI

InChI=1S/C12H22N2O4S2/c1-11(2)8-9(12(3,4)14(11)16)10(15)13-6-7-19-20(5,17)18/h8,16H,6-7H2,1-5H3,(H,13,15)

InChIKey

XRYMTOHZFLDQDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 384342-59-0

CID: 46782662

Formula: C12H22N2O4S2

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	322.10209953
Monoisotopic Mass	322.10209953
Topological Polar Surface Area	120 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	518
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

Catalog	Name
O8243-07H	(1-Oxyl-2,2,5,5-tetramethylpyrroline-3-yl) carbamidoethyl Methanethiosulfonate (MTS-4-Oxyl)
B8996-05-01	1,4-Butanediyl Bismethanethiosulfonate (MTS-4-MTS)
#91030	MTS-Tetramethylrhodamine (MTS-TAMRA)
O8243-04B	(+) - (1-Oxyl-2,2,5,5-tetramethylpyrrolidin-3-yl) methyl Methanethiosulfonate ((+) -proxyl-MTS)
O8243-04A	(-) - (1-Oxyl-2,2,5,5-tetramethylpyrrolidin-3-yl) methyl Methanethiosulfonate ((-) -proxyl-MTS)
MBS6104081-01	(1-Oxyl-2,2,5,5-tetramethylpyrrolidin-3-yl) Methyl Methanethiosulfonate_x000B_ (proxyl-MTS)
H9037-65	4-Hydroxybenzyl Methanethiosulfonate (4-HB-MTS)
#91053	MTS-5-Tetramethylrhodamine (MTS-5-TAMRA)
#91052	MTS-6-Tetramethylrhodamine (MTS-6-TAMRA)
2808-1000	MTS Reagent