CAS 4430-35-7

6-Methylsulfinylhexyl isothiocyanate

Description:

6-Methylsulfinylhexyl isothiocyanate, with the CAS number 4430-35-7, is a sulfur-containing organic compound that belongs to the class of isothiocyanates. It is characterized by the presence of a long carbon chain, specifically a hexyl group, which is substituted with a methylsulfinyl group and an isothiocyanate functional group. This compound is typically derived from cruciferous vegetables, where it may play a role in plant defense mechanisms and contribute to the characteristic flavors and aromas of these foods. Isothiocyanates are known for their potential health benefits, including anti-cancer properties and antimicrobial activity. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and environmental conditions. It is soluble in organic solvents but may have limited solubility in water. As with many isothiocyanates, it may exhibit pungent odors and should be handled with care due to its reactive nature. Overall, 6-Methylsulfinylhexyl isothiocyanate is of interest in both culinary and medicinal contexts.

Formula: C₈H₁₅NOS₂

InChI: InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3

InChI key: InChIKey=XQZVZULJKVALRI-UHFFFAOYSA-N

SMILES: C(CCCN=C=S)CCS(C)=O

Synonyms:

• Hesperin
• Hexane, 1-isothiocyanato-6-(methylsulfinyl)-
• Isothiocyanic acid, 6-(methylsulfinyl)hexyl ester
• 6-Methylsulfinylhexyl isothiocyanate
• 1-Isothiocyanato-6-(methylsulfinyl)hexane

Hesperin

CAS: 4430-35-7

Hesperin

Purity: ≥98%

Molecular weight: 205.34g/mol

Ref: 54-BUP21854

Hesperin

CAS: 4430-35-7

Hesperin (6-MSITC) is a flavonoid isolated from orange peel and is a circadian deoxynase in plants.

Formula: C₈H₁₅NOS₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 205.34

Ref: TM-T15474

6-Methylsulfinylhexyl Isothiocyanate

Controlled Product

CAS: 4430-35-7

Applications 6-(Methylsulfinyl)hexyl isothiocyanate derived from Wasabia japonica was discovered as an inhibitor of glycogen synthase kinase-3β.
References Yoshida, J., et al.: Biosci. Biotechnol. Biochem., 75, 136 (2011); Takuhiro, U., et al.: Adv. Pharmacol. Sci., 614 (2012);

Formula: C₈H₁₅NOS₂

Color and Shape: Neat

Molecular weight: 205.34

Ref: TR-M326730