CAS 667436-84-2

5-[1-(2-Chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

5-[1-(2-Chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with the CAS number 667436-84-2, is a chemical compound characterized by its triazole core, which is a five-membered heterocyclic 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, which contributes to its reactivity and potential biological activity. The presence of a 2-chlorophenoxyethyl substituent suggests that it may exhibit herbicidal or fungicidal properties, as many compounds with similar structures are known for their agricultural applications. Additionally, the propenyl group indicates potential for further chemical reactivity, possibly allowing for various synthetic modifications. The compound's unique structure may also influence its solubility, stability, and interaction with biological targets, making it of interest in both research and practical applications in agrochemicals or pharmaceuticals. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₃H₁₄ClN₃OS

InChI: InChI=1S/C13H14ClN3OS/c1-3-8-17-12(15-16-13(17)19)9(2)18-11-7-5-4-6-10(11)14/h3-7,9H,1,8H2,2H3,(H,16,19)

InChI key: InChIKey=KFMDXJPUPSOPCM-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[1-(2-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-
• 3H-1,2,4-Triazole-3-thione, 5-[1-(2-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propenyl)-
• 5-[1-(2-Chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

CAS: 667436-84-2

Formula: C₁₃H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 295.79

Ref: 10-F307809