AC1M0Q56
4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione|4-(benzo[d][1,3]dioxol-5-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol|4-(1,3-benzodioxol-5-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS: 879445-88-2
| Molecular Formula | C18H13N5O2S |
|---|---|
| Molecular Weight | 363.079 g/mol |
| LogP | 3.71569 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.079 |
| Monoisotopic Mass | 363.079 |
| Heavy Atoms | 26 |
| Complexity | 1145.8604 |
Chemical Identifiers
| CAS Number | 879445-88-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
AC1M0Q56 (CAS 879445-88-2), with molecular formula C18H13N5O2S and molecular weight 363.079 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-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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