CAS 116710-53-3: 5-[(2-Benzothiazolylthio)methyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione

Description: 5-[(2-Benzothiazolylthio)methyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione, with CAS number 116710-53-3, is a chemical compound characterized by its complex structure that includes a triazole ring, a benzothiazole moiety, and a thione functional group. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity, which may be of interest in pharmaceutical applications. The presence of sulfur in the thione group can influence its reactivity and stability, while the benzothiazole component may contribute to its electronic properties and interactions with biological targets. The compound's solubility, melting point, and other physical properties would depend on its specific molecular interactions and the presence of substituents. Additionally, it may exhibit antimicrobial or antifungal activities, making it a candidate for further research in medicinal chemistry. Overall, this compound represents a class of triazole derivatives that are often explored for their diverse applications in drug development and agrochemicals.

Formula: C₁₇H₁₄N₄S₃

InChI: InChI=1S/C17H14N4S3/c22-16-20-19-15(21(16)10-12-6-2-1-3-7-12)11-23-17-18-13-8-4-5-9-14(13)24-17/h1-9H,10-11H2,(H,20,22)

InChI key: InChIKey=LXGMSKVXSZRJRP-UHFFFAOYSA-N

SMILES: S=C1NN=C(N1CC=2C=CC=CC2)CSC3=NC=4C=CC=CC4S3

Synonyms:

• 5-[(2-Benzothiazolylthio)methyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[(2-benzothiazolylthio)methyl]-2,4-dihydro-4-(phenylmethyl)-

3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS: 116710-53-3

• Purity: 95%
• Molecular weight: 370.510009765625

5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol

CAS: 116710-53-3

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• Formula: C₁₇H₁₄N₄S₃
• Purity: Min. 95%
• Molecular weight: 370.5 g/mol