N-(1,3,4-Thiadiazolyl)nicotinamide


Chemical Name: N-(1,3,4-Thiadiazolyl)nicotinamide
CAS Number: 51987-99-6
Product Number: AG00DDFN(AGN-PC-0WAG0G)
Synonyms:
MDL No:
Molecular Formula: C8H6N4OS
Molecular Weight: 206.2244

Identification/Properties


Computed Properties
Molecular Weight:
206.223g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
206.026g/mol
Monoisotopic Mass:
206.026g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
214
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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