CAS 588674-00-4

5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 588674-00-4, is a chemical compound characterized by its triazole core, which is a five-membered ring containing three nitrogen atoms. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of a chloro-substituted aromatic ring and an ethyl group enhances its lipophilicity, which may influence its solubility and interaction with biological systems. The compound's structure suggests potential applications in agricultural chemistry, particularly as a fungicide or herbicide, due to the presence of the triazole moiety, which is known for its antifungal properties. Additionally, the specific substituents may impart unique pharmacological properties, making it a candidate for further research in medicinal chemistry. Overall, this compound exemplifies the diverse functionalities that can be achieved through careful molecular design.

Formula: C₁₃H₁₆ClN₃OS

InChI: InChI=1/C13H16ClN3OS/c1-4-17-12(15-16-13(17)19)9(3)18-11-6-5-10(14)7-8(11)2/h5-7,9H,4H2,1-3H3,(H,16,19)

SMILES: CCn1c(C(C)Oc2ccc(cc2C)Cl)nnc1S

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-ethyl-

5-[1-(4-Chloro-2-methylphenoxy)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

CAS: 588674-00-4

Formula: C₁₃H₁₆ClN₃OS

Molecular weight: 297.8036

Ref: IN-DA00EA4G

5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

CAS: 588674-00-4

Formula: C₁₃H₁₆ClN₃OS

Purity: 95.0%

Molecular weight: 297.8

Ref: 10-F307719