CAS 21663-56-9

(3R)-3-(isothiocyanatomethyl)heptane

Description:

(3R)-3-(isothiocyanatomethyl)heptane is an organic compound characterized by the presence of a heptane backbone with an isothiocyanate functional group. The "3R" designation indicates that the compound has a specific stereochemistry at the third carbon atom, which is crucial for its reactivity and interaction with biological systems. Isothiocyanates are known for their pungent odor and are often associated with compounds found in cruciferous vegetables. They exhibit various biological activities, including potential anticancer properties and antimicrobial effects. The presence of the isothiocyanatomethyl group suggests that this compound may participate in nucleophilic reactions, making it of interest in synthetic organic chemistry. Additionally, the compound's hydrophobic heptane chain may influence its solubility and partitioning behavior in different environments, which is relevant for applications in pharmaceuticals and agrochemicals. Overall, (3R)-3-(isothiocyanatomethyl)heptane is a compound of interest due to its unique structural features and potential applications in various fields.

Formula: C₉H₁₇NS

InChI: InChI=1/C9H17NS/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3/t9-/m1/s1

SMILES: CCCC[C@@H](CC)CN=C=S

3-(Isothiocyanatomethyl)heptane

CAS: 21663-56-9

Versatile small molecule scaffold

Formula: C₉H₁₇NS

Purity: Min. 95%

Molecular weight: 171.31 g/mol

Ref: 3D-WAA66356