5-[(4-isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[(4-isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 667414-35-9
• Molecular Formula: C13H17N3OS
• Molecular Weight: 263.36
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90360241
• Wikidata: Q82141880
• Mol file: 667414-35-9.mol

Synonyms:5-[(4-isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol;667414-35-9;4-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione;5-((4-Isopropylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol;4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol;BAS 08847095;DTXSID90360241;BBL014059;MFCD04054718;STK411826;AKOS000608200;VS-04148;CS-0319613;Y-1126;SR-01000323718;SR-01000323718-1

Chemical Property of 5-[(4-isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 1.84E-05mmHg at 25°C
• Boiling Point: 363.1°C at 760 mmHg
• Flash Point: 173.4°C
• PSA: 78.74000
• Density: 1.2g/cm³
• LogP: 2.80620
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 263.10923335
• Heavy Atom Count: 18
• Complexity: 335

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2C