ChemDiv3_005488
3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: ChemDiv3_005488|IDI1_023398|5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|AK-968/41170994|SR-01000113633-1|BRD-K28937104-001-01-9|3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CAS: 494747-69-2
| Molecular Formula | C14H14ClN5OS |
|---|---|
| Molecular Weight | 335.06076 g/mol |
| LogP | 3.38249 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.06076 |
| Monoisotopic Mass | 335.06076 |
| Heavy Atoms | 22 |
| Complexity | 848.99304 |
Chemical Identifiers
| CAS Number | 494747-69-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3Cl)C |
Product Overview
ChemDiv3_005488 (CAS 494747-69-2), with molecular formula C14H14ClN5OS and molecular weight 335.06076 g/mol. IUPAC: 3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-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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