![3-[(4-methoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole structure](/static/products/577/57736-50-2.png)
3-[(4-methoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole
3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
Also Known As: BAS 00609139|AE-848/11104163|SR-01000484856-1|3-((4-methoxybenzyl)thio)-5-methyl-4H-1,2,4-triazole|3-[(4-methoxybenzyl)thio]-5-methyl-4H-1,2,4-triazole|3-(4-Methoxy-benzylsulfanyl)-5-methyl-4H-[1,2,4]triazole|3-[(4-methoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole|3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
CAS: 57736-50-2
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.07793 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.07793 |
| Monoisotopic Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 57736-50-2 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC2=CC=C(C=C2)OC |
| InChIKey | PVEIAVOPCAIQSK-UHFFFAOYSA-N |
Product Overview
3-[(4-methoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole (CAS 57736-50-2), with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole.
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.
View MSDS →
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