CAS 793727-84-1

4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid

Description:

4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid is a chemical compound characterized by its unique triazole structure, which includes a thioxo group and a propanoic acid moiety. This compound features a butyl group and a 4-chlorophenyl substituent, contributing to its lipophilicity and potential biological activity. The presence of the thioxo group may enhance its reactivity and influence its interactions with biological targets. As a triazole derivative, it may exhibit properties such as antifungal or antibacterial activity, making it of interest in pharmaceutical research. The compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups. Its CAS number, 793727-84-1, allows for precise identification in chemical databases and literature. Overall, this compound represents a class of triazole derivatives that may have significant applications in medicinal chemistry and agrochemicals.

Formula: C₁₅H₁₈ClN₃O₂S

InChI: InChI=1S/C15H18ClN3O2S/c1-2-3-9-18-14(11-4-6-12(16)7-5-11)17-19(15(18)22)10-8-13(20)21/h4-7H,2-3,8-10H2,1H3,(H,20,21)

InChI key: InChIKey=OVLBOIPEWYCAOH-UHFFFAOYSA-N

SMILES: C(CCC)N1C(=NN(CCC(O)=O)C1=S)C2=CC=C(Cl)C=C2

Synonyms:

• 4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid
• 1H-1,2,4-Triazole-1-propanoic acid, 4-butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-

3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid

CAS: 793727-84-1

3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid

Purity: 95%

Molecular weight: 339.84g/mol

Ref: 54-OR84549

3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid

CAS: 793727-84-1

Purity: 97%

Molecular weight: 339.8399963

Ref: 10-F645451