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CAS 163462-16-6

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

Description:
Phenylmethyl N-[(1R)-1-(2S)-2-oxiranyl-2-(phenylthio)ethyl]carbamate, identified by its CAS number 163462-16-6, is a chemical compound characterized by its unique structure that includes a carbamate functional group and an epoxide moiety. This compound features a phenylmethyl group, which contributes to its lipophilicity, and a phenylthio group that may enhance its reactivity and interaction with biological systems. The presence of the oxirane ring indicates potential for ring-opening reactions, making it a candidate for various synthetic applications. Its stereochemistry, denoted by the (1R) and (2S) configurations, suggests specific spatial arrangements that can influence its biological activity and interaction with enzymes or receptors. As a carbamate, it may exhibit properties typical of this class, such as potential use as a pesticide or pharmaceutical agent. Overall, the compound's characteristics, including its functional groups and stereochemistry, suggest diverse applications in medicinal chemistry and agrochemicals.
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-DLBZAZTESA-N
SMILES:[C@@H](CSC1=CC=CC=C1)(NC(OCC2=CC=CC=C2)=O)[C@]3(CO3)[H]
Synonyms:
  • (2S,3R)-3-[(Benzyloxycarbonyl)amino]-4-phenylthio-1-butene oxide
  • Carbamic acid, N-[(1R)-1-(2S)-2-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester
  • Carbamic acid, [(1R)-1-(2S)-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester
  • Carbamic acid, [1-oxiranyl-2-(phenylthio)ethyl]-, phenylmethyl ester, [S-(R*,S*)]-
  • Phenylmethyl N-[(1R)-1-(2S)-2-oxiranyl-2-(phenylthio)ethyl]carbamate
  • Phenylmethyl [S-(R,S)]-[1-Oxiranyl-2-(Phenylthio)Ethyl]Carbamate
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