Triazolidinonethione
2-(4-bromophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: Triazolidinonethione|1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(4-bromophenyl)hexahydro-3-thioxo-|2-(4-bromophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one|4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thione|4-(4-Bromophenyl)-1,2-tetramethylene-5-thioxo-1,2,4-triazolidine-3-one|2-(4-bromophenyl)-3-sulfanylidene-hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one|2-(4-Bromophenyl)-3-sulfanylidenehexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one|2-(4-bromophenyl)-3-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one|2-(4-Bromophenyl)-3-thioxohexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one|Tetrahydro-4-(4-bromophenyl)-5-thioxo-1,2-tetramethylene-1H-1,2,4-triazole-3-one
| Molecular Formula | C12H12BrN3OS |
|---|---|
| Molecular Weight | 324.98846 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.98846 |
| Monoisotopic Mass | 324.98846 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 58744-73-3 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC=C(C=C3)Br |
| InChIKey | JJFWXELSEBZXEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triazolidinonethione (CAS 58744-73-3), with molecular formula C12H12BrN3OS and molecular weight 324.98846 g/mol. IUPAC: 2-(4-bromophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.