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

Base Information

• Chemical Name: 4-allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• CAS No.: 667413-04-9
• Molecular Formula: C15H19N3OS
• Molecular Weight: 289.4
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80407553
• Mol file: 667413-04-9.mol

Synonyms:667413-04-9;4-allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol;3-[1-(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;4-Allyl-5-(1-(3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol;DTXSID80407553;ART-CHEM-BB B018150;MFCD04054564;AKOS003331258;AKOS017258668;5-[1-(3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;VS-06020

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

Chemical Property:

• Vapor Pressure: 1.34E-06mmHg at 25°C
• Boiling Point: 399.7°C at 760 mmHg
• Flash Point: 195.5°C
• PSA: 78.74000
• Density: 1.16g/cm³
• LogP: 3.50960
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 289.12488341
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

98%min ^*data from raw suppliers

4-Allyl-5-[1-(3,5-dimethylphenoxy)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(=C1)OC(C)C2=NNC(=S)N2CC=C)C