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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-1,2,4-Triazol-3-amine, 1-methyl-5-(methylthio)-

Cn1nc(nc1SC)N Request for Quotation
Chemical Name: 1H-1,2,4-Triazol-3-amine, 1-methyl-5-(methylthio)-
CAS Number: 84827-78-1
Product Number: AG004N66(AGN-PC-0JSATR)
Synonyms:
MDL No:
Molecular Formula: C4H8N4S
Molecular Weight: 144.1981

Identification/Properties

Properties
MP:
105-107 °C
BP:
354.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
144.196g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
144.047g/mol
Monoisotopic Mass:
144.047g/mol
Topological Polar Surface Area:
82A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
98.6
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#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Amino-1-methyl-5-methylthio-1,2,4-triazole is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. With its distinctive structure containing an amino group and a thioether group attached to a triazole ring, this compound serves as a valuable building block in the synthesis of various pharmaceuticals, agrochemicals, and materials.One key application of 3-Amino-1-methyl-5-methylthio-1,2,4-triazole is in medicinal chemistry, where it is employed as a precursor in the synthesis of pharmaceutical compounds. Its amino group can undergo functionalization reactions to introduce different chemical moieties, allowing chemists to tailor the compound's properties for specific medicinal purposes. Additionally, the presence of the thioether group enhances the compound's stability and can impart desirable pharmacokinetic properties to the final drug candidate.In agrochemical synthesis, 3-Amino-1-methyl-5-methylthio-1,2,4-triazole is utilized in the development of pesticides and herbicides. By incorporating this compound into the molecular structure of agrochemical agents, researchers can enhance the effectiveness and selectivity of the resulting products. The triazole ring in the compound can also contribute to biological activity, making it an important scaffold in the design of bioactive molecules for crop protection.Furthermore, 3-Amino-1-methyl-5-methylthio-1,2,4-triazole finds applications in materials science, particularly in the creation of specialized polymers and functional materials. Its unique structural features make it a valuable monomer for polymerization reactions, leading to the formation of polymers with specific properties such as thermal stability, conductivity, or optical properties. By incorporating this compound into macromolecular structures, researchers can develop advanced materials for various industrial applications.