CAS 80570-90-7

2,4-Dihydro-5-(2-hydroxyphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-(2-hydroxyphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with the CAS number 80570-90-7, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance 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 hydroxyphenyl group suggests that it may exhibit phenolic characteristics, potentially influencing its solubility and interaction with biological systems. The propenyl substituent indicates that the compound may participate in various chemical reactions, including polymerization or addition reactions. This compound may have applications in agriculture, particularly as a fungicide or herbicide, due to its structural features that can interact with biological targets. However, specific biological activities, toxicity, and environmental impact would require further investigation through empirical studies.

Formula: C₁₁H₁₁N₃OS

InChI: InChI=1S/C11H11N3OS/c1-2-7-14-10(12-13-11(14)16)8-5-3-4-6-9(8)15/h2-6,15H,1,7H2,(H,13,16)

InChI key: InChIKey=KZAQFAGWXZOUIA-UHFFFAOYSA-N

SMILES: C(C=C)N1C(=NNC1=S)C2=C(O)C=CC=C2

Synonyms:

• Phenol, o-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-hydroxyphenyl)-4-(2-propen-1-yl)-
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-hydroxyphenyl)-4-(2-propenyl)-
• 2,4-Dihydro-5-(2-hydroxyphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
• 2-(4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol

NDM-1 inhibitor-1

CAS: 80570-90-7

NDM-1 inhibitor-1 is an inhibitor of new delhi metallo-β-lactamase-1 (NDM-1).

Formula: C₁₁H₁₁N₃OS

Purity: 98%

Color and Shape: Solid

Molecular weight: 233.29

Ref: TM-T28148