Methanesulfonothioic acid,S-[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl] ester


Chemical Name: Methanesulfonothioic acid,S-[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl] ester
CAS Number: 162758-04-5
Product Number: AG001TE8(AGN-PC-0Q8ATL)
Synonyms:
MDL No:
Molecular Formula: C13H23N3O4S3
Molecular Weight: 381.5344

Identification/Properties


Properties
MP:
95-103°C
Storage:
-10 ℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
381.524g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
381.085g/mol
Monoisotopic Mass:
381.085g/mol
Topological Polar Surface Area:
163A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
535
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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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