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

Base Information

• Chemical Name: 4-allyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• CAS No.: 292644-20-3
• Molecular Formula: C13H15N3OS
• Molecular Weight: 261.34
• DSSTox Substance ID: DTXSID401129019
• Mol file: 292644-20-3.mol

Synonyms:4-allyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol;292644-20-3;3-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;4-Allyl-5-((o-tolyloxy)methyl)-4H-1,2,4-triazole-3-thiol;5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;DTXSID401129019;CCG-25930;MFCD01460811;STK199525;AKOS000283589;UPCMLD0ENAT5956084:001;LS-01267;BB 0217496;AG-205/12502099;SR-01000522166;SR-01000522166-1;Z57479190;4-Allyl-5-o-tolyloxymethyl-4H-[1,2,4]triazole-3- thiol;2,4-Dihydro-5-[(2-methylphenoxy)methyl]-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

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

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 261.09358328
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC2=NNC(=S)N2CC=C