CAS 886364-22-3

3-Methyl-4-nitrobenzenecarbothioamide

Description:

3-Methyl-4-nitrobenzenecarbothioamide is an organic compound characterized by its aromatic structure, which includes a methyl group and a nitro group attached to a benzene ring. The presence of the carbothioamide functional group indicates that it contains a sulfur atom bonded to a carbonyl carbon, which is further connected to an amine group. This compound typically exhibits properties associated with both aromatic compounds and thioamides, such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitro group, which can participate in electrophilic substitution reactions. The nitro group also contributes to the compound's overall polarity and can influence its electronic properties. Additionally, the methyl group can affect the steric hindrance and reactivity of the molecule. As with many organic compounds, safety precautions should be taken when handling 3-Methyl-4-nitrobenzenecarbothioamide, as it may pose health risks or environmental hazards. Its specific applications and reactivity would depend on the context of its use in chemical synthesis or research.

Formula: C₈H₈N₂O₂S

InChI: InChI=1S/C8H8N2O2S/c1-5-4-6(8(9)13)2-3-7(5)10(11)12/h2-4H,1H3,(H2,9,13)

InChI key: InChIKey=QNPFIXDGSZDAGC-UHFFFAOYSA-N

SMILES: C(N)(=S)C1=CC(C)=C(N(=O)=O)C=C1

Synonyms:

• 3-Methyl-4-nitrobenzenecarbothioamide
• Benzenecarbothioamide, 3-methyl-4-nitro-