AC1NR57A
3-(1,3-benzothiazol-2-yl)-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]but-3-enoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]but-3-enoic acid|3-benzothiazol-2-yl-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]but-3-enoic Acid|3-(1,3-benzothiazol-2-yl)-4-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}but-3-enoic acid
CAS: 5487-84-3
| Molecular Formula | C21H16N4O4S2 |
|---|---|
| Molecular Weight | 452.0613 g/mol |
| LogP | 5.1045 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.0613 |
| Monoisotopic Mass | 452.0613 |
| Heavy Atoms | 31 |
| Complexity | 1292.9258 |
Chemical Identifiers
| CAS Number | 5487-84-3 |
|---|---|
| SMILES | CN1C=CN=C1SC2=C(C=C(C=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
AC1NR57A (CAS 5487-84-3), with molecular formula C21H16N4O4S2 and molecular weight 452.0613 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]but-3-enoic 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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