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CAS 59168-56-8

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Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester

Description:
Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester, identified by CAS number 59168-56-8, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with an amino group, a methoxy group, and a thiocyanate substituent, which contribute to its chemical reactivity and potential applications. The presence of the methoxy group enhances its solubility in organic solvents, while the thiocyanate group can participate in various chemical reactions, including nucleophilic substitutions. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its molecular structure suggests that it could engage in hydrogen bonding due to the amino and carboxylic acid functionalities, influencing its physical properties such as melting point and solubility. Additionally, the compound's stability and reactivity can be affected by environmental factors, including pH and temperature. Overall, this compound's unique combination of functional groups makes it a subject of interest in synthetic organic chemistry and potential applications in various fields.
Formula:C10H10N2O3S
InChI:InChI=1S/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3
InChI key:InChIKey=IRGMWPMUTWZIIJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(OC)C=C(N)C(SC#N)=C1
Synonyms:
  • 4-Amino-5-(cyanosulfanyl)-2-methoxybenzoic acid methyl ester
  • Benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester
  • Methyl 4-Amino-2-Methoxy-5-Thiocyanatobenzoate
  • Methyl 4-amino-5-thiocyanato-o-anisate
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