175334-68-6

Basic information

• Product Name: 3-[4-(TERT-BUTYL)PHENYL]-4-(3-METHOXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
• Synonyms: 3-[4-(TERT-BUTYL)PHENYL]-4-(3-METHOXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE;5-(4-TERT-BUTYLPHENYL)-4-(3-METHOXYPROPYL)-1,2,4-TRIAZOLE-3(2H)-THIONE
• CAS NO: 175334-68-6
• Molecular Formula: C16H23N3OS
• Molecular Weight: 305.44
• Mol File: 175334-68-6.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 387.2°Cat760mmHg
• Flash Point: 188°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 3.35E-06mmHg at 25°C
• Refractive Index: 1.578
• PKA: 8.34±0.20(Predicted)
• CAS DataBase Reference: 3-[4-(TERT-BUTYL)PHENYL]-4-(3-METHOXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[4-(TERT-BUTYL)PHENYL]-4-(3-METHOXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE(175334-68-6)
• EPA Substance Registry System: 3-[4-(TERT-BUTYL)PHENYL]-4-(3-METHOXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE(175334-68-6)

Safety Data

• Hazardous Substances Data: 175334-68-6(Hazardous Substances Data)

Usage

Chemical Structure

Contains a triazole ring with a thione group, with tert-butylphenyl and 3-methoxypropyl groups attached to the triazole ring.

Biological Activities

Triazoles have demonstrated antimicrobial, antiviral, and anticancer properties, suggesting potential medicinal applications.

Thione Group

Compounds with thione groups are studied for their antioxidant properties and as ligands in metal coordination complexes.

Potential Applications

Likely utility in medicinal chemistry for drug development due to its biological activities, and in inorganic chemistry research for its thione group's ligand properties.

InChI:InChI=1/C16H23N3OS/c1-16(2,3)13-8-6-12(7-9-13)14-17-18-15(21)19(14)10-5-11-20-4/h6-9H,5,10-11H2,1-4H3,(H,18,21)