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CAS 86893-76-7

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N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N′-methylurea

Description:
N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N′-methylurea, with the CAS number 86893-76-7, is a chemical compound that belongs to the class of ureas. This substance features a unique structure that includes a tetrazole ring, which contributes to its potential biological activity. The presence of the thioxo group indicates that it may exhibit properties related to sulfur chemistry, potentially influencing its reactivity and interactions with other molecules. The compound is likely to be a solid at room temperature, given the characteristics of similar urea derivatives. Its solubility may vary depending on the solvent, but it is generally expected to be soluble in polar organic solvents. This compound may have applications in pharmaceuticals or agrochemicals, particularly due to the bioactive nature of tetrazole derivatives. However, specific data regarding its toxicity, stability, and reactivity would require further investigation through experimental studies and literature reviews.
Formula:C9H10N6OS
InChI:InChI=1S/C9H10N6OS/c1-10-8(16)11-6-3-2-4-7(5-6)15-9(17)12-13-14-15/h2-5H,1H3,(H2,10,11,16)(H,12,14,17)
InChI key:InChIKey=ALAVMPYROHSFFR-UHFFFAOYSA-N
SMILES:S=C1N(C2=CC(NC(NC)=O)=CC=C2)N=NN1
Synonyms:
  • N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N′-methylurea
  • Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N′-methyl-
  • 1-Methyl-3-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]urea
  • 1-[3-(3-Methylureido)phenyl]-5-mercaptotetrazole
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