3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-pyridinyl)-
CAS Number: 1477-24-3
Product Number: AG001F46(AGN-PC-0JY2LG)
Synonyms:
MDL No:
Molecular Formula: C7H6N4S
Molecular Weight: 178.2143

Identification/Properties


Computed Properties
Molecular Weight:
178.213g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
178.031g/mol
Monoisotopic Mass:
178.031g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
219
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P305+P351+P338-P261
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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