3-Pyridinecarbothioamide


Chemical Name: 3-Pyridinecarbothioamide
CAS Number: 4621-66-3
Product Number: AG00I8KH(AGN-PC-0JVOP5)
Synonyms:
MDL No:
Molecular Formula: C6H6N2S
Molecular Weight: 138.1902

Identification/Properties


Properties
MP:
185-190 °C
BP:
278.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
138.188g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
138.025g/mol
Monoisotopic Mass:
138.025g/mol
Topological Polar Surface Area:
71A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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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