CAS 21358-24-7

5-[(4-chloro-2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Description:

5-[(4-chloro-2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a thiol group (-SH), which contributes to its reactivity and potential applications in various chemical reactions. The presence of a chloro-substituted aromatic moiety and an allyl group indicates that it may exhibit unique biological activities, possibly as a fungicide or herbicide. The molecular structure suggests that it may engage in hydrogen bonding due to the thiol group, influencing its solubility and interaction with biological targets. Additionally, the compound's specific functional groups may impart properties such as lipophilicity or hydrophilicity, affecting its bioavailability and environmental behavior. Overall, this compound's unique structural features make it of interest in agricultural chemistry and potentially in pharmaceutical applications, although further studies would be necessary to fully elucidate its properties and uses.

Formula: C₁₃H₁₄ClN₃OS

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

SMILES: C=CCn1c(COc2ccc(cc2C)Cl)nnc1S

Synonyms:

• 4-allyl-5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 4-Allyl-5-[(4-chloro-2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-Triazole-3-thiol, 5-[(4-chloro-2-methylphenoxy)methyl]-4-(2-propen-1-yl)-

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

CAS: 21358-24-7

Formula: C₁₃H₁₄ClN₃OS

Molecular weight: 295.7878

Ref: IN-DA00BEUA

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

CAS: 21358-24-7

Formula: C₁₃H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 295.79

Ref: 10-F307717