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CAS 737000-95-2

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(2R)-2-Isothiocyanatohexane

Description:
(2R)-2-Isothiocyanatohexane is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a hexane chain. This compound is chiral, with the (2R) designation indicating the specific configuration at the second carbon atom in the hexane chain. Isothiocyanates are known for their pungent odors and are often associated with the characteristic flavors of cruciferous vegetables. They exhibit biological activity, including potential anticancer properties, and are studied for their role in plant defense mechanisms. The compound is typically synthesized through the reaction of an amine with a thiocyanate or by the reaction of an alkyl halide with potassium thiocyanate. In terms of physical properties, isothiocyanates generally have moderate boiling points and are soluble in organic solvents. Safety considerations include handling precautions due to their potential irritant effects on the skin and respiratory system. Overall, (2R)-2-Isothiocyanatohexane is of interest in both synthetic organic chemistry and biological research.
Formula:C7H13NS
InChI:InChI=1S/C7H13NS/c1-3-4-5-7(2)8-6-9/h7H,3-5H2,1-2H3/t7-/m1/s1
InChI key:InChIKey=GCZWLZBNDSJSQF-SSDOTTSWSA-N
SMILES:[C@@H](CCCC)(N=C=S)C
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