CAS 106748-27-0

Methyl 3-(aminothioxomethyl)benzoate

Description:

Methyl 3-(aminothioxomethyl)benzoate, identified by its CAS number 106748-27-0, is an organic compound that features a benzoate structure with a methyl ester group and an aminothioxomethyl substituent. This compound typically exhibits characteristics common to aromatic esters, including a relatively high melting point and moderate solubility in organic solvents. The presence of the thioxomethyl group introduces potential reactivity, particularly in nucleophilic substitution reactions, due to the sulfur atom's ability to participate in various chemical transformations. Additionally, the amino group may confer basic properties, allowing for interactions with acids and other electrophiles. Methyl 3-(aminothioxomethyl)benzoate may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its stability, reactivity, and potential applications in synthesis or as a pharmaceutical intermediate are influenced by the specific functional groups present in its structure. As with many organic compounds, handling should be conducted with care, considering safety data and potential hazards associated with its use.

Formula: C₉H₉NO₂S

InChI: InChI=1S/C9H9NO2S/c1-12-9(11)7-4-2-3-6(5-7)8(10)13/h2-5H,1H3,(H2,10,13)

InChI key: InChIKey=MBBRSLODSVCTGY-UHFFFAOYSA-N

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

Synonyms:

• Methyl 3-carbamothioylbenzoate
• 3-Thiocarbamoylbenzoic acid methyl ester
• 3-(Methoxycarbonyl)thiobenzamide
• Benzoic acid, 3-(aminothioxomethyl)-, methyl ester
• Methyl 3-(aminothioxomethyl)benzoate

Methyl 3-carbamothioylbenzoate

CAS: 106748-27-0

Versatile small molecule scaffold

Formula: C₉H₉NO₂S

Purity: Min. 95%

Molecular weight: 195.24 g/mol

Ref: 3D-GEA74827