AC1M0EG9
3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: A3917/0166638|3-(2-((4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid|3-[({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
CAS: 898056-83-2
| Molecular Formula | C21H16N4O3S2 |
|---|---|
| Molecular Weight | 436.06638 g/mol |
| LogP | 4.4248 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.06638 |
| Monoisotopic Mass | 436.06638 |
| Heavy Atoms | 30 |
| Complexity | 1174.2068 |
Chemical Identifiers
| CAS Number | 898056-83-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CS4 |
Product Overview
AC1M0EG9 (CAS 898056-83-2), with molecular formula C21H16N4O3S2 and molecular weight 436.06638 g/mol. IUPAC: 3-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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