CAS 120958-23-8

Carbonimidodithioic acid, cyano-, methyl (3-nitrophenoxy)methyl ester

Description:

Carbonimidodithioic acid, cyano-, methyl (3-nitrophenoxy)methyl ester, identified by CAS number 120958-23-8, is a chemical compound that features a complex structure characterized by the presence of a carbonimidodithioic acid moiety and a methyl ester linked to a 3-nitrophenoxy group. This compound typically exhibits properties associated with both the dithioic acid and ester functional groups, which may include moderate solubility in organic solvents and potential reactivity with nucleophiles due to the presence of the cyano group. The nitro group on the phenoxy ring can influence the compound's electronic properties, potentially enhancing its reactivity and making it useful in various chemical applications, including as an intermediate in organic synthesis. Additionally, the presence of multiple functional groups suggests that it may participate in a range of chemical reactions, such as nucleophilic substitutions or condensation reactions. Safety and handling precautions should be observed, as compounds with similar structures may exhibit toxicity or environmental hazards.

Formula: C₁₀H₉N₃O₃S₂

InChI: InChI=1S/C10H9N3O3S2/c1-17-10(12-6-11)18-7-16-9-4-2-3-8(5-9)13(14)15/h2-5H,7H2,1H3

InChI key: InChIKey=ZZFASDFIBSKFEF-UHFFFAOYSA-N

SMILES: O(CSC(=NC#N)SC)C1=CC(N(=O)=O)=CC=C1

Synonyms:

• Carbonimidodithioic acid, cyano-, methyl (3-nitrophenoxy)methyl ester