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


Chemical Name: 1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone
CAS Number: 244641-23-4
Product Number: AG002O7O(AGN-PC-0KS89O)
Synonyms:
MDL No: MFCD04116094
Molecular Formula: C12H21NO3S2
Molecular Weight: 291.4300

Identification/Properties


Properties
MP:
112-114ºC
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
291.424g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
291.096g/mol
Monoisotopic Mass:
291.096g/mol
Topological Polar Surface Area:
88.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
484
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


Other Analytical Data


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