CID9944721
4-benzyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione|5-[(4-Fluorophenoxy)methyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione|4-Benzyl-5-[(4-fluorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS: 451502-06-0
| Molecular Formula | C16H14FN3OS |
|---|---|
| Molecular Weight | 315.08417 g/mol |
| LogP | 3.70709 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.08417 |
| Monoisotopic Mass | 315.08417 |
| Heavy Atoms | 22 |
| Complexity | 796.2632 |
Chemical Identifiers
| CAS Number | 451502-06-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=C(C=C3)F |
Product Overview
CID9944721 (CAS 451502-06-0), with molecular formula C16H14FN3OS and molecular weight 315.08417 g/mol. IUPAC: 4-benzyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
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.
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