2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde


Chemical Name: 2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde
CAS Number: 1261925-44-3
Product Number: AG000S5L(AGN-PC-09Q1V8)
Synonyms:
MDL No:
Molecular Formula: C14H12O2S
Molecular Weight: 244.3089

Identification/Properties


Computed Properties
Molecular Weight:
244.308g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
244.056g/mol
Monoisotopic Mass:
244.056g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
249
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



3-Hydroxy-4'-(methylthio)-[1,1'-biphenyl]-4-carbaldehyde plays a crucial role in chemical synthesis as a versatile building block for creating a variety of organic compounds. Its unique structure and functional groups make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. This compound can be used in reactions such as Grignard reactions, Friedel-Crafts acylations, and Heck couplings to introduce diverse substitution patterns onto the biphenyl scaffold. Additionally, its aldehyde group allows for further derivatization through various transformations, enabling the synthesis of complex molecules with specific functionalities.