3H-1,2,4-Triazole-3-thione,5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione,5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-
CAS Number: 878671-96-6
Product Number: AG0039Q3(AGN-PC-0VHD7N)
Synonyms:
MDL No:
Molecular Formula: C15H14N4S
Molecular Weight: 282.3635

Identification/Properties


Computed Properties
Molecular Weight:
282.365g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
282.094g/mol
Monoisotopic Mass:
282.094g/mol
Topological Polar Surface Area:
85.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
445
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-5-thiol, known for its unique chemical structure, plays a crucial role in chemical synthesis as a versatile building block. This compound is frequently employed in the creation of novel pharmaceuticals, agrochemicals, and materials due to its diverse reactivity and functional groups. In organic synthesis, it serves as a key intermediate in the preparation of biologically active compounds by enabling the formation of complex molecular structures. Furthermore, its sulfur-containing moiety lends itself to facilitating specific chemical reactions, making it a valuable tool for the construction of various functionalized molecules.