2,1,3-Benzoxadiazole-4-sulfonamide,7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-


Chemical Name: 2,1,3-Benzoxadiazole-4-sulfonamide,7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-
CAS Number: 163927-32-0
Product Number: AG003CHR(AGN-PC-0Q8HUP)
Synonyms:
MDL No:
Molecular Formula: C13H15N5O3S2
Molecular Weight: 353.4199

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
353.415g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
353.062g/mol
Monoisotopic Mass:
353.062g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
587
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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