2-((phenylcarbonothioyl)thio)acetic acid
$300.00
CAS No.: 942-91-6
Catalog No.: 195065
Purity: 95%
MF: C9H8O2S2
MW: 212.295
Storage: 2-8 degree Celsius
SMILES: C1(=CC=CC=C1)C(=S)SCC(=O)O
Catalog No.: 195065
Purity: 95%
MF: C9H8O2S2
MW: 212.295
Storage: 2-8 degree Celsius
SMILES: C1(=CC=CC=C1)C(=S)SCC(=O)O
2-((phenylcarbonothioyl)thio)acetic acid; CAS No.: 942-91-6; 2-((phenylcarbonothioyl)thio)acetic acid. PROPERTIES: 2-((phenylcarbonothioyl)thio)acetic acid appears as a white to off-white crystalline powder with a slight sulfur odor. Its molecular formula is C9H8O3S2, corresponding to a molecular weight of approximately 232.3 g/mol. The compound exhibits a melting point in the range of 120-123 C and demonstrates moderate solubility in common organic solvents such as methanol, ethyl acetate, and dichloromethane while being sparingly soluble in water. It is stable under normal laboratory conditions but should be protected from prolonged exposure to moisture and heat. Proper storage involves keeping it in a tightly sealed container at room temperature (15-25 C) in a dry environment. Safety considerations include wearing appropriate protective equipment as the compound may cause skin and eye irritation. Inhalation of dust should be avoided, and in case of accidental exposure, thorough washing with water and medical consultation is advised. APPLICATIONS: 2-((phenylcarbonothioyl)thio)acetic acid functions as a specialized intermediate in the synthesis of thioester derivatives used in peptide synthesis and bioconjugation chemistry. Its carbonothioyl and thioacetic acid groups provide structural features important for forming thioester bonds, which are valuable for creating bioactive conjugates and studying protein-protein interactions (Journal of Peptide Science). In medicinal chemistry, 2-((phenylcarbonothioyl)thio)acetic acid serves as a building block for creating enzyme inhibitors and prodrugs, where its thioester functionality enables selective targeting and activation of biological pathways (Bioorganic & Medicinal Chemistry Letters). Additionally, the compound finds application in the development of fluorescent probes for bioimaging, where its thioester group allows for selective labeling of biological targets such as proteins and lipids (Analytical Chemistry). It is also employed in the synthesis of certain agrochemicals, though specific applications in this area are limited to non-agricultural research settings (Pest Management Science).
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