2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Base Information

• Chemical Name: 2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
• CAS No.: 603071-16-5
• Molecular Formula: C9H15N3O2S
• Molecular Weight: 229.2993
• DSSTox Substance ID: DTXSID701323563
• ChEMBL ID: CHEMBL1310779
• Mol file: 603071-16-5.mol

Synonyms:603071-16-5;MLS000715381;CHEMBL1310779;DTXSID701323563;HMS2748M06;2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid;AKOS000750122;SMR000275360;SR-01000329681;SR-01000329681-1;2-((4-Ethyl-5-propyl-4H-1,2,4-triazol-3-yl)thio)aceticacid;[(4-Ethyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-((4-Ethyl-5-propyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

Chemical Property of 2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Chemical Property:

• PSA: 93.31000
• LogP: 1.42720
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 229.08849790
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=NN=C(N1CC)SCC(=O)O