2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

Base Information

• Chemical Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
• CAS No.: 261761-11-9
• Molecular Formula: C10H9ClN4OS
• Molecular Weight: 268.72266
• DSSTox Substance ID: DTXSID701166563
• Mol file: 261761-11-9.mol

Synonyms:261761-11-9;2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-chlorophenyl)ethanone;Ethanone, 2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-1-(4-chlorophenyl)-;Maybridge3_006808;ChemDiv1_015905;MixCom6_000065;HMS632C21;DTXSID701166563;HMS1450F10;CCG-42599;2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone;AKOS002143628;AKOS002350438;IDI1_018195;EU-0030094;AI-204/31687002;SR-01000581619;SR-01000581619-1;SR-01000632586-1;2-[(3-Amino-1H-1,2,4-triazol-5-yl)thio]-1-(4-chlorophenyl)ethanone;2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

Chemical Property of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 268.0185598
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)Cl