N-[4-(AMINOSULFONYL)-2,1,3-BENZOXADIAZOL-7-YL]-2-AMINOETHYL METHANETHIOSULFONATE


Chemical Name: N-[4-(AMINOSULFONYL)-2,1,3-BENZOXADIAZOL-7-YL]-2-AMINOETHYL METHANETHIOSULFONATE
CAS Number: 352000-01-2
Product Number: AG00BZKZ(AGN-PC-0BS8R2)
Synonyms:
MDL No:
Molecular Formula: C9H12N4O5S3
Molecular Weight: 352.41038

Identification/Properties


Properties
MP:
166-169°C
Storage:
-10 ℃;Light sensitive;
Computed Properties
Molecular Weight:
352.398g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
6
Exact Mass:
351.997g/mol
Monoisotopic Mass:
351.997g/mol
Topological Polar Surface Area:
186A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
570
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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