CAS 473706-33-1

4-(1-Methylethyl)-1-piperazinecarbothioamide

Description:

4-(1-Methylethyl)-1-piperazinecarbothioamide, identified by its CAS number 473706-33-1, is a chemical compound characterized by the presence of a piperazine ring, which is a six-membered cyclic amine. This compound features a carbothioamide functional group, indicating the presence of a sulfur atom bonded to a carbonyl carbon, which is further attached to the piperazine structure. The "1-Methylethyl" substituent suggests the presence of an isopropyl group, contributing to the compound's overall hydrophobic character. The molecular structure implies potential biological activity, as piperazine derivatives are often explored for their pharmacological properties. The compound is likely to exhibit moderate solubility in organic solvents, while its solubility in water may be limited due to the hydrophobic isopropyl group. Additionally, the presence of the thiocarbonyl group may influence its reactivity, making it a candidate for further chemical modifications or applications in medicinal chemistry. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₈H₁₇N₃S

InChI: InChI=1S/C8H17N3S/c1-7(2)10-3-5-11(6-4-10)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12)

InChI key: InChIKey=BDLNMQMAJWWEMJ-UHFFFAOYSA-N

SMILES: C(C)(C)N1CCN(C(N)=S)CC1

Synonyms:

• 4-(1-Methylethyl)-1-piperazinecarbothioamide
• 1-Piperazinecarbothioamide, 4-(1-methylethyl)-