(5-Ethyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

Base Information

• Chemical Name: (5-Ethyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
• CAS No.: 886498-37-9
• Molecular Formula: C16H15N3O2S
• Molecular Weight: 313.4
• DSSTox Substance ID: DTXSID801157199
• Mol file: 886498-37-9.mol

Synonyms:886498-37-9;2-((5-Ethyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid;DTXSID801157199;(5-Ethyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;(5-ethyl-4-naphthalen-1-yl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;2-((5-Ethyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)aceticacid;2-[[5-Ethyl-4-(1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid;2-{[5-ethyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Chemical Property of (5-Ethyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 313.08849790
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

2-((5-Ethyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)aceticacid 97% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)O