3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-
CAS Number: 16691-43-3
Product Number: AG0033L7(AGN-PC-0KK01N)
Synonyms:
MDL No:
Molecular Formula: C2H4N4S
Molecular Weight: 116.1450

Identification/Properties


Properties
MP:
>300 °C(lit.)
BP:
201.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5605 (estimate)
Solubility:
water: soluble25mg/mL, clear, faintly yellow to yellow
Computed Properties
Molecular Weight:
116.142g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
116.016g/mol
Monoisotopic Mass:
116.016g/mol
Topological Polar Surface Area:
94.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
128
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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