CAS 4413-43-8

4-Amino-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

4-Amino-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 4413-43-8, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features an amino group and a thione functional group, contributing to its reactivity and potential biological activity. The presence of the 4-chlorophenoxy group indicates that it may exhibit specific interactions with biological targets, making it of interest in pharmaceutical research. The compound is typically synthesized through multi-step organic reactions, and its properties may include solubility in polar solvents and stability under standard laboratory conditions. Its potential applications could span various fields, including agriculture as a fungicide or in medicinal chemistry for developing new therapeutic agents. Safety and handling precautions should be observed due to the presence of chlorine and nitrogen functionalities, which may pose hazards in certain contexts.

Formula: C₉H₉ClN₄OS

InChI: InChI=1S/C9H9ClN4OS/c10-6-1-3-7(4-2-6)15-5-8-12-13-9(16)14(8)11/h1-4H,5,11H2,(H,13,16)

InChI key: InChIKey=VKXMIAZOMPVHIM-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(Cl)C=C1)C=2N(N)C(=S)NN2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 4-amino-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-
• 4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-Triazole-3-thiol, 4-amino-5-[(p-chlorophenoxy)methyl]-
• 4H-1,2,4-triazole-3-thiol, 4-amino-5-[(4-chlorophenoxy)methyl]-
• 4-Amino-5-[(4-chlorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

4-amino-3-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS: 4413-43-8

Purity: 98%

Molecular weight: 256.7099915

Ref: 10-F653670