Description

4-Amino-5-(ethylthio)-o-anisic acid (CAS No. 71675-86-0) is a high-purity organic compound with the molecular formula C₁₀H₁₃NO₃S and a molecular weight of 227.28 g/mol. This benzoic acid derivative features an amino group at the 4-position, an ethylthio substituent at the 5-position, and a methoxy group at the 2-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its IUPAC name is 4-amino-5-ethylsulfanyl-2-methoxybenzoic acid. The compound is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. It is soluble in organic solvents such as DMSO and methanol but has limited solubility in water. Store in a cool, dry place away from light to maintain stability.

Properties

• CAS Number: 71675-86-0
• Complexity: 225
• IUPAC Name: 4-amino-5-ethylsulfanyl-2-methoxy-benzoic acid
• InChI: InChI=1S/C10H13NO3S/c1-3-15-9-4-6(10(12)13)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
• InChI Key: BVCKAIGDWABZIE-UHFFFAOYSA-N
• Exact Mass: 227.06161445
• Molecular Formula: C10H13NO3S
• Molecular Weight: 227.28
• SMILES: CCSC1=C(C=C(C(=C1)C(=O)O)OC)N
• Topological: 97.9
• Monoisotopic Mass: 227.06161445
• Synonyms: 4-Amino-5-(ethylthio)-2-methoxybenzoic acid, 4-Amino-5-(ethylthio)-o-anisic acid, EINECS 275-832-2, 275-832-2, 71675-86-0, 2-Methoxy-4-amino-5-ethylthiobenzoic acid, 4-amino-5-ethylsulfanyl-2-methoxybenzoic acid, 4-amino-5-(ethylsulfanyl)-2-methoxybenzoic acid, MFCD04973620, 4-Amino-5-(ethylthio)-2-methoxybenzoicacid, M9HN9Y8YJV, 4-AMINO-5-(ETHYLTHIO)-2-METHOXY-BENZOIC ACID, SCHEMBL7373404, 4-Amino-5-Ethylthio-2-Methoxybenzoic Acid Methyl Ester, DTXSID20992276, BVCKAIGDWABZIE-UHFFFAOYSA-N, BCP18957, AKOS015890898, FM25250, SB79862, DS-13167, DB-074458, CS-0151408, NS00063506, E77212, Benzoic acid, 4-amino-5-(ethylthio)-2-methoxy-

Application

4-Amino-5-(ethylthio)-o-anisic acid is primarily used as a key intermediate in the synthesis of bioactive molecules, including potential pharmaceuticals and agrochemicals. Its unique structure allows for further functionalization, making it valuable in medicinal chemistry for drug discovery. Researchers also employ it in the development of dyes and specialty chemicals due to its aromatic and heteroatom-rich framework.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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