Acetic acid, [(1-phenyl-1H-benzimidazol-2-yl)thio]-


Chemical Name: Acetic acid, [(1-phenyl-1H-benzimidazol-2-yl)thio]-
CAS Number: 93866-15-0
Product Number: AG00GSQT(AGN-PC-0JWI5Q)
Synonyms:
MDL No:
Molecular Formula: C16H15Cl2N
Molecular Weight: 292.2030

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
284.333g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
284.062g/mol
Monoisotopic Mass:
284.062g/mol
Topological Polar Surface Area:
80.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
347
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 2-((1-Phenyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid plays a crucial role in chemical synthesis due to its unique structural properties and versatile reactivity. It serves as a key building block in the production of various pharmaceuticals, agrochemicals, and materials. This compound is particularly valuable in the synthesis of complex organic molecules through its ability to participate in diverse chemical reactions such as esterification, amidation, and cross-coupling. Additionally, its sulfur-containing functional group enhances its utility as a ligand in metal-catalyzed transformations, further expanding its synthetic applications. Overall, 2-((1-Phenyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid is a valuable tool for chemists engaged in the design and synthesis of novel compounds with potential applications in various industries.