Acetic acid, [(3-methylphenyl)thio]-


Chemical Name: Acetic acid, [(3-methylphenyl)thio]-
CAS Number: 3996-30-3
Product Number: AG00D03N(AGN-PC-0JLQTG)
Synonyms:
MDL No:
Molecular Formula: C9H10O2S
Molecular Weight: 182.2395

Identification/Properties


Computed Properties
Molecular Weight:
182.237g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
182.04g/mol
Monoisotopic Mass:
182.04g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
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



2-(m-Tolylthio)acetic acid is a versatile compound that finds widespread application in chemical synthesis. Due to its unique structure and reactivity, this compound serves as a valuable building block in organic chemistry reactions. Its thioether functional group allows for various types of transformations, making it an important intermediate in the synthesis of complex organic molecules.In chemical synthesis, 2-(m-Tolylthio)acetic acid can be utilized as a starting material for the preparation of diverse organic compounds. Its thioether moiety can participate in substitution reactions, allowing for the introduction of different functional groups. This versatility enables the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals.Furthermore, the presence of the aromatic tolyl group in 2-(m-Tolylthio)acetic acid enhances its stability and aids in directing regioselective reactions. This feature is particularly useful in controlling the formation of specific products in multi-step synthesis processes.Overall, the strategic incorporation of 2-(m-Tolylthio)acetic acid in chemical synthesis enables chemists to access a wide range of structurally diverse compounds with tailored properties and functionalities. By leveraging its reactivity and versatility, this compound serves as an essential tool for advancing the field of organic chemistry.