CAS 745783-99-7

(2S)-2-Isothiocyanato-3-methylbutane

Description:

(2S)-2-Isothiocyanato-3-methylbutane is a chemical compound characterized by the presence of an isothiocyanate functional group, which is known for its distinctive sulfur-containing structure. This compound features a chiral center at the second carbon, contributing to its stereochemistry as the (2S) enantiomer. Isothiocyanates are typically derived from glucosinolates and are recognized for their pungent odor and potential biological activity, including antimicrobial and anticancer properties. The presence of the methyl group at the third carbon position influences the compound's reactivity and steric properties. In terms of physical characteristics, isothiocyanates generally exhibit low to moderate volatility and can be soluble in organic solvents. The compound's reactivity is primarily attributed to the isothiocyanate group, which can participate in nucleophilic reactions, making it useful in various synthetic applications. Additionally, due to its potential biological effects, (2S)-2-Isothiocyanato-3-methylbutane may be of interest in pharmacological research and the development of agrochemicals.

Formula: C₆H₁₁NS

InChI: InChI=1S/C6H11NS/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m0/s1

InChI key: InChIKey=YAVRRVJBEIYPRH-LURJTMIESA-N

SMILES: [C@@H](N=C=S)(C(C)C)C

Synonyms:

• Butane, 2-isothiocyanato-3-methyl-, (2S)-
• (s)-(+)-3-Methyl-2-butyl isothiocyanate
• (2S)-2-Isothiocyanato-3-methylbutane

(S)-(+)-3-Methyl-2-butyl isothiocyanate

CAS: 745783-99-7

(S)-(+)-3-Methyl-2-butyl isothiocyanate

Purity: ≥95%

Molecular weight: 129.22g/mol

Ref: 54-OR322279