C13H14ClN3OS
2-(4-chloro-3-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(4-chloro-3-methylphenyl)hexahydro-3-thioxo-|2-(4-chloro-3-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one|2-(4-Chloro-3-methylphenyl)-3-sulfanylidenehexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one
CAS: 58744-89-1
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.0546 g/mol |
| LogP | 2.92561 |
| Topological Polar Surface Area | 31.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0546 |
| Monoisotopic Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 718.7244 |
Chemical Identifiers
| CAS Number | 58744-89-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)N3CCCCN3C2=S)Cl |
Product Overview
C13H14ClN3OS (CAS 58744-89-1), with molecular formula C13H14ClN3OS and molecular weight 295.0546 g/mol. IUPAC: 2-(4-chloro-3-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.
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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