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CAS 306935-46-6

:

Carbamic acid, [[4,5-dihydro-4-(2-propenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester

Description:
Carbamic acid, [[4,5-dihydro-4-(2-propenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester, identified by CAS number 306935-46-6, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a triazole ring, which contributes to its potential biological activity. The presence of a thioxo group and an allyl substituent indicates that it may exhibit unique reactivity and properties, potentially making it useful in agricultural or pharmaceutical applications. As an ester, it is likely to be less polar than its corresponding acid, which can influence its solubility and interaction with biological systems. The compound's stability, reactivity, and potential toxicity would depend on its specific functional groups and molecular interactions. While detailed studies on this particular compound may be limited, its structural features suggest it could be of interest for further research in medicinal chemistry or agrochemicals. Safety data and handling precautions should be consulted before working with this substance.
Formula:C11H18N4O2S
InChI:InChI=1S/C11H18N4O2S/c1-5-6-15-8(13-14-9(15)18)7-12-10(16)17-11(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,16)(H,14,18)
InChI key:InChIKey=FTCUGLKYNJDLTP-UHFFFAOYSA-N
SMILES:C(C=C)N1C(CNC(OC(C)(C)C)=O)=NNC1=S
Synonyms:
  • Carbamic acid, [[4,5-dihydro-4-(2-propenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester
  • tert-butyl [(4-prop-2-en-1-yl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]carbamate
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