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CAS 214750-70-6

:

1,1-Dimethylethyl N-[(1S)-3-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]butyl]carbamate

Description:
1,1-Dimethylethyl N-[(1S)-3-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]butyl]carbamate, with CAS number 214750-70-6, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a thioxomethyl moiety. This compound features a bulky tert-butyl group, which contributes to its steric properties, and a nitro-substituted benzotriazole, which may impart specific electronic characteristics and potential biological activity. The presence of the thioxomethyl group suggests potential reactivity, particularly in nucleophilic substitution reactions. The stereochemistry indicated by the (1S) configuration suggests that the compound may exhibit specific spatial arrangements that could influence its interactions and reactivity. Overall, this compound may be of interest in fields such as medicinal chemistry or agrochemicals, where its unique structural features could be leveraged for specific applications. However, detailed studies would be necessary to fully understand its properties, reactivity, and potential uses.
Formula:C17H23N5O4S
InChI:InChI=1S/C17H23N5O4S/c1-10(2)8-13(18-16(23)26-17(3,4)5)15(27)21-14-9-11(22(24)25)6-7-12(14)19-20-21/h6-7,9-10,13H,8H2,1-5H3,(H,18,23)/t13-/m0/s1
InChI key:InChIKey=PMAXTLKKSQZVKQ-ZDUSSCGKSA-N
SMILES:C([C@@H](NC(OC(C)(C)C)=O)CC(C)C)(=S)N1C=2C(N=N1)=CC=C(N(=O)=O)C2
Synonyms:
  • Carbamic acid, N-[(1S)-3-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]butyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1S)-3-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]butyl]carbamate
  • Carbamic acid, [(1S)-3-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]butyl]-, 1,1-dimethylethyl ester
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