[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

• Catalog Number: ACM305337115-1
• Product Name: [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
• CAS: 305337-11-5
• Category: Heterocyclic Organic Compound
• Synonyms: [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, (4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, ST50411939, 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, SMR000068519, AC1LG54S, AC1Q30UM, AC1Q30UN, SureCN5744558, MLS000056021, CTK6E9229, MolPort-000-162-306, HMS2378N13, AKOS000296842, AG-A-04916, MCULE-2096935597, BAS 00782460, KB-111253, EN300-12636, T5386457
• IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
• Molecular Weight: 263.32
• Molecular Formula: C₁₂H₁₃N₃O₂S
• Canonical SMILES: CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2
• InChI Key: XYDMEZQTZHRQNA-UHFFFAOYSA-N
• Boiling Point: ~505.0° C at 760 mmHg (Predicted)
• Melting Point: 183.08° C (Predicted)
• Density: ~1.3 g/cm3(Predicted)
• Storage: room temperature
• Exact Mass: 263.07300
• H-Bond Acceptor: 5
• H-Bond Donor: 1