3-Pyridinecarbonitrile, 1,6-dihydro-6-thioxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,6-dihydro-6-thioxo-
CAS Number: 27885-58-1
Product Number: AG00C22A(AGN-PC-0163X6)
Synonyms:
MDL No:
Molecular Formula: C6H4N2S
Molecular Weight: 136.1744

Identification/Properties


Properties
MP:
242-244℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
136.172g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
136.01g/mol
Monoisotopic Mass:
136.01g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
241
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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