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CAS 159878-03-2

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Phenylmethyl N-[(1R)-1-(2R)-2-oxiranyl-2-(phenylthio)ethyl]carbamate

Description:
Phenylmethyl N-[(1R)-1-(2R)-2-oxiranyl-2-(phenylthio)ethyl]carbamate, identified by its CAS number 159878-03-2, is a chemical compound that features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. This compound contains an epoxide ring, indicated by the oxiranyl moiety, which contributes to its reactivity and potential applications in organic synthesis. The presence of a phenylthio group suggests that it may exhibit unique electronic properties and interactions due to the sulfur atom's influence on the aromatic system. The stereochemistry of the compound, denoted by the (1R) and (2R) configurations, indicates specific spatial arrangements of atoms that can affect its biological activity and reactivity. Overall, this compound may be of interest in medicinal chemistry and materials science, particularly in the development of pharmaceuticals or agrochemicals, due to its structural complexity and functional groups.
Formula:C18H19NO3S
InChI:InChI=1S/C18H19NO3S/c20-18(22-11-14-7-3-1-4-8-14)19-16(17-12-21-17)13-23-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17-/m0/s1
InChI key:InChIKey=PTFJNZDQRVPSQX-IRXDYDNUSA-N
SMILES:[C@@H](CSC1=CC=CC=C1)(NC(OCC2=CC=CC=C2)=O)[C@@]3(CO3)[H]
Synonyms:
  • Phenylmethyl N-[(1R)-1-(2R)-2-oxiranyl-2-(phenylthio)ethyl]carbamate
  • Carbamic acid, [1-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester, [R-(R*,R*)]-
  • Carbamic acid, [(1R)-1-(2R)-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester
  • Carbamic acid, N-[(1R)-1-(2R)-2-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester
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