[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl] acetate


Chemical Name: [2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl] acetate
CAS Number: 392718-69-3
Product Number: AG0075CA(AGN-PC-05J22T)
Synonyms:
MDL No:
Molecular Formula: C12H21NO4S2
Molecular Weight: 307.4294

Identification/Properties


Computed Properties
Molecular Weight:
307.423g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
307.091g/mol
Monoisotopic Mass:
307.091g/mol
Topological Polar Surface Area:
97.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
500
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

Safety Information


NMR Spectrum


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