3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
CAS Number: 54585-47-6
Product Number: AG003JBY(AGN-PC-0JUSP4)
Synonyms:
MDL No:
Molecular Formula: C8H8N2S
Molecular Weight: 164.2275

Identification/Properties


Properties
MP:
274℃ (dec.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
164.226g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
164.041g/mol
Monoisotopic Mass:
164.041g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
314
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:
Danger
UN#:
2811
Hazard Statements:
H301-H318
Precautionary Statements:
P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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