CAS 745784-02-5
:1-Bromo-4-[(1S)-1-isothiocyanatoethyl]benzene
Description:
1-Bromo-4-[(1S)-1-isothiocyanatoethyl]benzene is an organic compound characterized by the presence of a bromine atom and an isothiocyanate functional group attached to a benzene ring. The compound features a chiral center, indicated by the (1S) configuration, which contributes to its stereochemical properties. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic addition reactions, and it may exhibit biological activity, making it of interest in medicinal chemistry and agrochemicals. The bromine substituent can enhance the compound's reactivity and solubility in organic solvents. Additionally, this compound may have applications in synthetic organic chemistry as an intermediate for the synthesis of more complex molecules. Safety data should be consulted, as halogenated compounds can pose health risks, and appropriate handling procedures should be followed.
Formula:C9H8BrNS
InChI:InChI=1S/C9H8BrNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
InChI key:InChIKey=YSTNXBHZXWCFQE-ZETCQYMHSA-N
SMILES:[C@H](N=C=S)(C)C1=CC=C(Br)C=C1
Synonyms:- Benzene, 1-bromo-4-[(1S)-1-isothiocyanatoethyl]-
- (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate
- 1-Bromo-4-[(1S)-1-isothiocyanatoethyl]benzene
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