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CAS 95046-30-3

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N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Description:
N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide is a chemical compound characterized by its unique structure, which includes a thiadiazole ring, a methyl group, and a phenylmethylthio substituent. This compound typically exhibits properties associated with thiadiazoles, such as potential biological activity, including antimicrobial or antifungal effects, due to the presence of the thiol group. The acetamide functional group contributes to its solubility in polar solvents and may influence its reactivity and interaction with biological targets. The presence of the phenylmethyl group can enhance lipophilicity, potentially affecting the compound's pharmacokinetics. As with many thiadiazole derivatives, this compound may be of interest in medicinal chemistry for its potential therapeutic applications. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical measurement or literature reference for precise characterization.
Formula:C12H13N3OS2
InChI:InChI=1S/C12H13N3OS2/c1-9(16)13-11-15(2)14-12(18-11)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI key:InChIKey=IPHBGOSQKZPELD-UHFFFAOYSA-N
SMILES:N(C(C)=O)=C1N(C)N=C(SCC2=CC=CC=C2)S1
Synonyms:
  • Δ2-1,3,4-Thiadiazoline, 5-(acetylimino)-2-(benzylthio)-4-methyl-
  • Acetamide, N-[2-(benzylthio)-4-methyl-Δ2-1,3,4-thiadiazolin-5-ylidene]-
  • Acetamide, N-[3-methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]-
  • N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
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