CAS 737000-96-3
:(2S)-2-Isothiocyanatohexane
Description:
(2S)-2-Isothiocyanatohexane is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a hexane backbone. This compound is a chiral molecule, with the (2S) designation indicating the specific stereochemistry at the second carbon atom. 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 presence of the isothiocyanate group makes this compound reactive, particularly with nucleophiles, and it can participate in various chemical reactions, such as forming thioureas or reacting with amines. Additionally, (2S)-2-Isothiocyanatohexane 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 typically be influenced by its molecular structure and functional groups. Safety precautions should be taken when handling isothiocyanates due to their potential irritant effects.
Formula:C7H13NS
InChI:InChI=1S/C7H13NS/c1-3-4-5-7(2)8-6-9/h7H,3-5H2,1-2H3/t7-/m0/s1
InChI key:InChIKey=GCZWLZBNDSJSQF-ZETCQYMHSA-N
SMILES:[C@H](CCCC)(N=C=S)C
Synonyms:- (2S)-2-Isothiocyanatohexane
- Hexane, 2-isothiocyanato-, (2S)-
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