3-{[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]-methyl}-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-{[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]-methyl}-4-methoxybenzaldehyde
• CAS No.: 1119450-96-2
• Molecular Formula: C13H16N4O2S
• Molecular Weight: 292.36
• DSSTox Substance ID: DTXSID101139792
• Mol file: 1119450-96-2.mol

Synonyms:1119450-96-2;3-{[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]-methyl}-4-methoxybenzaldehyde;3-(((4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-methoxybenzaldehyde;3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxybenzaldehyde;Benzaldehyde, 3-[[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-;3-[[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-methoxybenzaldehyde;DTXSID101139792;STK503162;AKOS002657224;3-{[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

Chemical Property of 3-{[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]-methyl}-4-methoxybenzaldehyde

Chemical Property:

• PKA: 2.24±0.10(Predicted)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 292.09939694
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

3-{[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]-methyl}-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NN=C(N1N)SCC2=C(C=CC(=C2)C=O)OC