AC1LUE4J
(E)-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide|(2E)-N-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide|(E)-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CAS: 536985-82-7
| Molecular Formula | C18H14N4O3S2 |
|---|---|
| Molecular Weight | 398.05072 g/mol |
| LogP | 4.3905 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.05072 |
| Monoisotopic Mass | 398.05072 |
| Heavy Atoms | 27 |
| Complexity | 956.2528 |
Chemical Identifiers
| CAS Number | 536985-82-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1LUE4J (CAS 536985-82-7), with molecular formula C18H14N4O3S2 and molecular weight 398.05072 g/mol. IUPAC: (E)-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
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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