CAS 4430-39-1

1-Isothiocyanato-6-(methylthio)hexane

Description:

1-Isothiocyanato-6-(methylthio)hexane is an organic compound characterized by the presence of both isothiocyanate and methylthio functional groups. It features a hexane backbone, which consists of six carbon atoms, with an isothiocyanate group (-N=C=S) attached to one end and a methylthio group (-S-CH3) at the sixth carbon. This compound is typically a colorless to pale yellow liquid with a pungent odor, characteristic of isothiocyanates. It is soluble in organic solvents and exhibits reactivity typical of isothiocyanates, including the ability to form thioureas and other derivatives upon reaction with nucleophiles. The presence of the methylthio group can influence its biological activity and chemical reactivity, making it of interest in various fields, including medicinal chemistry and agrochemicals. Additionally, compounds like this one are often studied for their potential applications in pest control and as bioactive agents due to their ability to interact with biological systems. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants.

Formula: C₈H₁₅NS₂

InChI: InChI=1/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3

InChI key: InChIKey=YIBXPFAXPUDDTK-UHFFFAOYSA-N

SMILES: C(CCCSC)CCN=C=S

Synonyms:

• (6-Isothiocyanatohexyl)(methyl)sulfane
• 1-Isothiocyanato-6-(methylthio)hexane
• 6-Isothiocyanatohexyl methyl sulfide
• 6-Methylthiohexyl isothiocyanate
• Hexane, 1-Isothiocyanato-6-(Methylthio)-
• Isothiocyanic acid, 6-(methylthio)hexyl ester
• Ktf 40
• Lesquerellin
• 1-Isothiocyanato-6-(methylsulfanyl)hexane
• 6-Methylthiohexyl mustard oil
• ISOTHIOCYANATO-6-(METHYLTHIO)-HEXANE, 1-(P)

1-Isothiocyanato-6-(methylsulfenyl)-hexane

CAS: 4430-39-1

1-Isothiocyanato-6-(methylsulfenyl)-hexane, identified in wasabi (W. japonica), exhibits multifaceted biological activities. This isothiocyanate compound demonstrates antibacterial properties by inhibiting B. subtilis growth in an agar diffusion assay at 25 µmol/disc, and antifungal effectiveness against T. mentagrophytes with a minimum inhibitory concentration (MIC) of 25 µg/ml. Additionally, it acts as a repellent in the blue mussel (M. edulis) assay and shows antifouling capabilities on polyvinyl chloride (PVC) plates at a concentration of 50 µmol/cm^2, underscoring its potential in biotechnological applications.

Formula: C₈H₁₅NS₂

Color and Shape: Solid

Molecular weight: 189.341

Ref: TM-TN7502

1-Isothiocyanato-6-(methylsulfenyl)-hexane

Controlled Product

CAS: 4430-39-1

Formula: C₈H₁₅NS₂

Color and Shape: Neat

Molecular weight: 189.341

Ref: TR-I905615