CAS 115271-80-2

Methyl 2-[(aminothioxomethyl)amino]benzoate

Description:

Methyl 2-[(aminothioxomethyl)amino]benzoate, identified by its CAS number 115271-80-2, is a chemical compound that features a benzoate structure with a methyl ester group and an aminothioxomethyl substituent. This compound typically exhibits characteristics common to aromatic amines and esters, including potential solubility in organic solvents and moderate stability under standard conditions. The presence of the thioxomethyl group suggests that it may participate in various chemical reactions, including nucleophilic substitutions or condensation reactions. Additionally, the amino group can engage in hydrogen bonding, influencing its reactivity and interaction with other molecules. Methyl 2-[(aminothioxomethyl)amino]benzoate may have applications in pharmaceuticals or agrochemicals, given the structural motifs that are often associated with biological activity. However, specific properties such as melting point, boiling point, and spectral data would require empirical measurement or detailed literature references for precise characterization. Safety data should also be consulted to understand any potential hazards associated with handling this compound.

Formula: C₉H₁₀N₂O₂S

InChI: InChI=1S/C9H10N2O2S/c1-13-8(12)6-4-2-3-5-7(6)11-9(10)14/h2-5H,1H3,(H3,10,11,14)

InChI key: InChIKey=ADNZIZRXZWZMRJ-UHFFFAOYSA-N

SMILES: N(C(N)=S)C1=C(C(OC)=O)C=CC=C1

Synonyms:

• Anthranilic acid, N-thiocarbamoyl-, methyl ester
• Benzoic acid, 2-[(aminothioxomethyl)amino]-, methyl ester
• Methyl 2-[(aminothioxomethyl)amino]benzoate