4-allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• CAS No.: 667414-42-8
• Molecular Formula: C14H17N3OS
• Molecular Weight: 275.37
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00393747
• Mol file: 667414-42-8.mol

Synonyms:667414-42-8;4-allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol;3-[1-(2-methylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;ART-CHEM-BB B018138;5-[1-(2-methylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;4-Allyl-5-(1-(o-tolyloxy)ethyl)-4H-1,2,4-triazole-3-thiol;DTXSID00393747;BBL013371;MFCD04054722;STK401450;AKOS003323152;AKOS017259216;VS-03791

Chemical Property of 4-allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 9.23E-06mmHg at 25°C
• Boiling Point: 373°C at 760 mmHg
• Flash Point: 179.4°C
• PSA: 78.74000
• Density: 1.17g/cm³
• LogP: 3.20120
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 275.10923335
• Heavy Atom Count: 19
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(C)C2=NNC(=S)N2CC=C