AC1NDB81
N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
Also Known As: Oprea1_331561|F0475-0050|N-((4-(2,6-diethylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3-fluorobenzamide|N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide|N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
CAS: 391886-48-9
| Molecular Formula | C20H21FN4OS |
|---|---|
| Molecular Weight | 384.142 g/mol |
| LogP | 4.12379 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.142 |
| Monoisotopic Mass | 384.142 |
| Heavy Atoms | 27 |
| Complexity | 1002.56635 |
Chemical Identifiers
| CAS Number | 391886-48-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
AC1NDB81 (CAS 391886-48-9), with molecular formula C20H21FN4OS and molecular weight 384.142 g/mol. IUPAC: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide.
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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