3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-


Chemical Name: 3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-
CAS Number: 138564-59-7
Product Number: AG003MUW(AGN-PC-0JQ60A)
Synonyms:
MDL No:
Molecular Formula: C12H9N3O2S
Molecular Weight: 259.2838

Identification/Properties


Properties
MP:
109.0 to 115.0 °C
BP:
425.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
259.283g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
259.042g/mol
Monoisotopic Mass:
259.042g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
362
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile, a versatile compound in chemical synthesis, acts as a key building block in organic chemistry. With its unique molecular structure, this compound plays a crucial role in the development of various complex organic molecules with diverse functionalities. By serving as a precursor in the synthesis of novel materials, pharmaceutical intermediates, and fine chemicals, this compound enables the creation of advanced molecules with tailored properties. Its presence in chemical synthesis processes enhances the efficiency of reactions and facilitates the production of high-quality products with precise control over molecular architecture. With its diverse applications and contributions to the field of organic chemistry, 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile serves as a valuable tool for chemists and researchers seeking to explore new frontiers in chemical synthesis and molecular design.