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CAS 737000-93-0

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(2R)-2-Isothiocyanatoheptane

Description:
(2R)-2-Isothiocyanatoheptane is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a heptane backbone. This compound is a chiral molecule, with the "R" designation indicating the specific spatial arrangement of its atoms. 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 antimicrobial effects. The compound's structure contributes to its reactivity, particularly in nucleophilic substitution reactions, where the isothiocyanate group can participate in various chemical transformations. Additionally, (2R)-2-Isothiocyanatoheptane may have applications in organic synthesis and as a building block in the development of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point and solubility, would depend on the specific molecular interactions and the presence of functional groups. Overall, this compound exemplifies the diverse chemistry associated with isothiocyanates and their potential utility in various fields.
Formula:C8H15NS
InChI:InChI=1S/C8H15NS/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m1/s1
InChI key:InChIKey=UPTLUDLHIIYPNC-MRVPVSSYSA-N
SMILES:C([C@H](N=C=S)C)CCCC
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