CAS 836682-32-7

1-isothiocyanato-4-(methylsulfinyl)(~2~H_8_)butane

Description:

1-Isothiocyanato-4-(methylsulfinyl)butane, with the CAS number 836682-32-7, is a chemical compound characterized by the presence of an isothiocyanate functional group and a methylsulfinyl moiety. This compound typically exhibits a pungent odor, which is common among isothiocyanates, and is known for its potential biological activity, including antimicrobial and anticancer properties. The presence of the methylsulfinyl group may influence its reactivity and solubility in various solvents. In terms of physical properties, it is likely to be a liquid at room temperature, with a relatively low boiling point compared to larger organic molecules. The compound's structure suggests it may participate in nucleophilic reactions due to the electrophilic nature of the isothiocyanate group. Additionally, it may have applications in organic synthesis and as a potential agrochemical. As with many isothiocyanates, safety precautions should be taken when handling this compound due to its potential irritant properties.

Formula: C₆H₃D₈NOS₂

InChI: InChI=1/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/i2D2,3D2,4D2,5D2

SMILES: CS(=O)C(C(C(C(N=C=S)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]

D,L-Sulforaphane-d8

Controlled Product

CAS: 836682-32-7

Applications Potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli. It was found to inhibit chemically induced mammary tumor formation in rats. Antitumor agent.
References Zhang, Y., et al.: Proc. Natl. Acad. Sci. USA, 89, 2399 (1992), Shikita, M., et al.: Biochem. J., 341, 725 (1999), Wittich, S., et al.: J. Med. Chem., 45, 3296 (2002), Lee, J., et al.: Cancer Lett., 224, 171 (2005),

Formula: C₆H₃D₈NOS₂

Color and Shape: Light Yellow

Molecular weight: 185.34

Ref: TR-S699117