CAS 72505-22-7

1-Methylcyclohexanecarbothioamide

Description:

1-Methylcyclohexanecarbothioamide, with the CAS number 72505-22-7, is an organic compound characterized by the presence of a thiocarbonyl functional group (-C(=S)NH2) attached to a methyl-substituted cyclohexane ring. This compound typically exhibits properties associated with both amides and thiols, including potential hydrogen bonding due to the amine group and reactivity associated with the thiocarbonyl. It is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the methyl group can influence its steric and electronic properties, potentially affecting its reactivity and interactions with other molecules. As with many thiocarbonyl compounds, it may exhibit moderate to low solubility in water but could be more soluble in organic solvents. The compound's unique structure may lend itself to applications in organic synthesis or as a building block in the development of pharmaceuticals or agrochemicals. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with thiocarbonyl compounds.

Formula: C₈H₁₅NS

InChI: InChI=1S/C8H15NS/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)

InChI key: InChIKey=YDUHRASLHANMSB-UHFFFAOYSA-N

SMILES: C(N)(=S)C1(C)CCCCC1

Synonyms:

• Cyclohexanecarbothioamide, 1-methyl-
• 1-Methylcyclohexanecarbothioamide
• 1-Methylcyclohexane-1-carbothioamide