Pyridine, 3-isothiocyanato-


Chemical Name: Pyridine, 3-isothiocyanato-
CAS Number: 17452-27-6
Product Number: AG001ZQP(AGN-PC-0KK8E4)
Synonyms:
MDL No:
Molecular Formula: C6H4N2S
Molecular Weight: 136.1744

Identification/Properties


Properties
BP:
253.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.665(lit.)
Computed Properties
Molecular Weight:
136.172g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
136.01g/mol
Monoisotopic Mass:
136.01g/mol
Topological Polar Surface Area:
57.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
129
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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