CAS 1432679-82-7

1H-1,2,4-Triazole, 1-[[2-[(phenylmethyl)thio]phenyl]methyl]-, hydrochloride (1:1)

Description:

1H-1,2,4-Triazole, 1-[[2-[(phenylmethyl)thio]phenyl]methyl]-, hydrochloride (1:1), with CAS number 1432679-82-7, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance typically exhibits properties associated with both triazoles and thioether functionalities, suggesting potential applications in pharmaceuticals, particularly as an antifungal or antimicrobial agent. The presence of the phenylmethylthio group indicates that it may possess significant lipophilicity, enhancing its ability to penetrate biological membranes. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, which can influence its bioavailability and stability. The compound's molecular interactions may involve hydrogen bonding and π-π stacking due to the aromatic rings, contributing to its biological activity. Safety and handling precautions should be observed, as with many chemical substances, to mitigate any potential hazards associated with its use.

Formula: C₁₆H₁₅N₃S·ClH

InChI: InChI=1S/C16H15N3S.ClH/c1-2-6-14(7-3-1)11-20-16-9-5-4-8-15(16)10-19-13-17-12-18-19;/h1-9,12-13H,10-11H2;1H

InChI key: InChIKey=FKPMAWUEYNOGJJ-UHFFFAOYSA-N

SMILES: S(CC1=CC=CC=C1)C2=C(CN3C=NC=N3)C=CC=C2.Cl

Synonyms:

• 1H-1,2,4-Triazole, 1-[[2-[(phenylmethyl)thio]phenyl]methyl]-, hydrochloride (1:1)

1-{[2-(Benzylsulfanyl)phenyl]methyl}-1H-1,2,4-triazole hydrochloride

CAS: 1432679-82-7

Versatile small molecule scaffold

Formula: C₁₆H₁₆ClN₃S

Purity: Min. 95%

Molecular weight: 317.8 g/mol

Ref: 3D-HHC67982