CAS 956576-79-7
:1-Isothiocyanato-2-methyl-3-nitrobenzene
Description:
1-Isothiocyanato-2-methyl-3-nitrobenzene, with the CAS number 956576-79-7, is an organic compound characterized by the presence of both isothiocyanate and nitro functional groups attached to a benzene ring. This compound features a methyl group at the second position and a nitro group at the third position of the benzene ring, contributing to its unique reactivity and properties. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The nitro group can influence the compound's electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the presence of the isothiocyanate group suggests that this compound may participate in thiocyanate chemistry, which is relevant in both synthetic and biological contexts. Overall, 1-Isothiocyanato-2-methyl-3-nitrobenzene is a compound of interest in organic synthesis and medicinal chemistry due to its functional groups and potential applications.
Formula:C8H6N2O2S
InChI:InChI=1S/C8H6N2O2S/c1-6-7(9-5-13)3-2-4-8(6)10(11)12/h2-4H,1H3
InChI key:InChIKey=LQXPQPDCGJQJGW-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C(N(=O)=O)=CC=C1
Synonyms:- 2-Methyl-3-nitrophenylisothiocyanate
- 1-Isothiocyanato-2-methyl-3-nitrobenzene
- Benzene, 1-isothiocyanato-2-methyl-3-nitro-
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