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CAS 737000-89-4

:

[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene

Description:
The chemical substance known as [[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene, with the CAS number 737000-89-4, is characterized by its unique structural features that include a benzene ring substituted with a methylene group linked to a cyclohexyl moiety, which in turn is substituted with an isothiocyanate functional group. This compound exhibits properties typical of isothiocyanates, such as potential reactivity with nucleophiles and biological activity, which may include antimicrobial or anticancer properties. The presence of the isothiocyanate group suggests that it may participate in various chemical reactions, including thiocarbamoylation and the formation of thioureas. Additionally, the stereochemistry indicated by the (1S,2S) configuration suggests specific spatial arrangements that could influence its biological interactions and reactivity. Overall, this compound may be of interest in medicinal chemistry and materials science due to its functional groups and structural characteristics, which could lead to diverse applications in drug development or as a chemical intermediate.
Formula:C14H17NOS
InChI:InChI=1S/C14H17NOS/c17-11-15-13-8-4-5-9-14(13)16-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1
InChI key:InChIKey=DNRPSBSMXLYTQF-KBPBESRZSA-N
SMILES:O(CC1=CC=CC=C1)[C@@H]2[C@@H](N=C=S)CCCC2
Synonyms:
  • (1R,2R)-(-)-2-Benzyloxycyclohexyl isothiocyanate
  • ({[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy}methyl)benzene
  • Benzene, [[[(1S,2S)-2-isothiocyanatocyclohexyl]oxy]methyl]-
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