5-(4-chlorophenyl)-4-(2-methylhexyl)-4H-1,2,4-triazole-3-thiol
3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chlorophenyl)-4-(2-methylhexyl)-4H-1,2,4-triazole-3-thiol|5-(4-Chloro-phenyl)-4-(2-methyl-hexyl)-4H-[1,2,4]triazole-3-thiol|3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione
CAS: 749219-33-8
| Molecular Formula | C15H20ClN3S |
|---|---|
| Molecular Weight | 309.10666 g/mol |
| LogP | 5.08739 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.10666 |
| Monoisotopic Mass | 309.10666 |
| Heavy Atoms | 20 |
| Complexity | 600.32635 |
Chemical Identifiers
| CAS Number | 749219-33-8 |
|---|---|
| SMILES | CCCCC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl |
Product Overview
5-(4-chlorophenyl)-4-(2-methylhexyl)-4H-1,2,4-triazole-3-thiol (CAS 749219-33-8), with molecular formula C15H20ClN3S and molecular weight 309.10666 g/mol. IUPAC: 3-(4-chlorophenyl)-4-(2-methylhexyl)-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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5-(4-chlorophenyl)-4-(2-methylhexyl)-4H-1,2,4-triazole-3-thiol is a custom synthesis product. We offer services from milligram to kilogram scale.
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