CAS 737000-91-8
:[[[(1S,2S)-2-Isothiocyanatocyclopentyl]oxy]methyl]benzene
Description:
The chemical substance known as [[[(1S,2S)-2-Isothiocyanatocyclopentyl]oxy]methyl]benzene, with the CAS number 737000-91-8, is characterized by its unique structural features that include a benzene ring substituted with a methylene group linked to a cyclopentyl moiety, which is further substituted with an isothiocyanate functional group. This compound exhibits properties typical of isothiocyanates, such as potential biological activity, including antimicrobial and anticancer effects, due to the presence of the isothiocyanate group. The stereochemistry indicated by the (1S,2S) configuration suggests specific spatial arrangements that may influence its reactivity and interactions with biological targets. Additionally, the presence of the ether linkage (the -O- group) contributes to its solubility characteristics and may affect its overall stability and reactivity. Overall, this compound's unique structure and functional groups suggest potential applications in medicinal chemistry and materials science, although specific properties such as melting point, boiling point, and solubility would require empirical measurement for precise characterization.
Formula:C13H15NOS
InChI:InChI=1S/C13H15NOS/c16-10-14-12-7-4-8-13(12)15-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9H2/t12-,13-/m0/s1
InChI key:InChIKey=XPXSISUCDSDZAB-STQMWFEESA-N
SMILES:O(CC1=CC=CC=C1)[C@@H]2[C@@H](N=C=S)CCC2
Synonyms:- Benzene, [[[(1S,2S)-2-isothiocyanatocyclopentyl]oxy]methyl]-
- [[[(1S,2S)-2-Isothiocyanatocyclopentyl]oxy]methyl]benzene
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